Detailed information for compound 650669

Basic information

Technical information
  • TDR Targets ID: 650669
  • Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2-bromo phenyl)methylideneamino]acetamide
  • MW: 406.32 | Formula: C16H12BrN3OS2
  • H donors: 1 H acceptors: 2 LogP: 4.89 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CSc1nc2c(s1)cccc2)N/N=C/c1ccccc1Br
  • InChi: 1S/C16H12BrN3OS2/c17-12-6-2-1-5-11(12)9-18-20-15(21)10-22-16-19-13-7-3-4-8-14(13)23-16/h1-9H,10H2,(H,20,21)/b18-9+
  • InChiKey: DDZZPYNNGGECLU-GIJQJNRQSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2-bromophenyl)methyleneamino]acetamide
  • 2-(1,3-benzothiazol-2-ylthio)-N-[(2-bromophenyl)methyleneamino]acetamide
  • 2-(1,3-benzothiazol-2-ylthio)-N-[(2-bromobenzylidene)amino]acetamide
  • 2-(1,3-benzothiazol-2-ylsulfanyl)-N-[(2-bromophenyl)methylideneamino]ethanamide
  • ZINC01474854
  • STK077765

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni hypothetical protein 0.0047 0.0385 0.0953
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0284 0.3788 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0626 0.8691 1
Echinococcus multilocularis geminin 0.0173 0.2186 0.2232
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0038 0.0254 0.1848
Brugia malayi Calcitonin receptor-like protein seb-1 0.0149 0.1841 0.2118
Echinococcus multilocularis phd:f box containing protein 0.0037 0.0247 0.0252
Loa Loa (eye worm) hypothetical protein 0.0199 0.256 0.2945
Trypanosoma cruzi C-8 sterol isomerase, putative 0.0375 0.5091 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.1017 0.1038
Giardia lamblia PHD finger protein 15 0.0116 0.1372 0.3624
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1017 0.252
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.1017 0.117
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0256 0.0503
Echinococcus granulosus PHD finger protein rhinoceros 0.0116 0.1372 0.1372
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0256 0.0503
Loa Loa (eye worm) inositol-1 0.0038 0.0256 0.0295
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0297 0.0299
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0256 0.0258
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0234 0.3072 0.3137
Loa Loa (eye worm) hypothetical protein 0.0149 0.1841 0.2118
Loa Loa (eye worm) hypothetical protein 0.003 0.0138 0.0158
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.3788 0.3814
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0247 0.0284
Echinococcus multilocularis lysine specific demethylase 6a 0.0037 0.0247 0.0252
Schistosoma mansoni phd/f-box containing protein 0.0037 0.0247 0.0612
Loa Loa (eye worm) hypothetical protein 0.0037 0.0247 0.0284
Brugia malayi Heterochromatin protein 1 0.0068 0.0682 0.0785
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.009 0.0999 0.7275
Onchocerca volvulus Alhambra homolog 0.0116 0.1372 0.1261
Plasmodium vivax hypothetical protein, conserved 0.0116 0.1372 1
Echinococcus multilocularis conserved hypothetical protein 0.0703 0.9793 1
Loa Loa (eye worm) hypothetical protein 0.0038 0.0254 0.0292
Schistosoma mansoni protein phosphatase 2C 0.0037 0.0247 0.0612
Plasmodium falciparum JmjC domain-containing protein, putative 0.0037 0.0247 0.1799
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0116 0.1372 0.3401
Echinococcus granulosus phd:f box containing protein 0.0037 0.0247 0.0247
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0037 0.0247 0.0485
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0284 0.3788 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.3788 0.3814
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0037 0.0247 0.0247
Loa Loa (eye worm) jmjC domain-containing protein 0.0239 0.3142 0.3616
Loa Loa (eye worm) hypothetical protein 0.0375 0.5091 0.5857
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0037 0.0247 0.0485
Echinococcus multilocularis chromobox protein 1 0.0068 0.0682 0.0697
Onchocerca volvulus 0.0101 0.1158 0.1042
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0096 0.0097
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0038 0.0254 0.0498
Trypanosoma brucei C-8 sterol isomerase, putative 0.0375 0.5091 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0139 0.1702 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0116 0.1372 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.009 0.0999 0.102
Brugia malayi Serotonin receptor 0.0483 0.6639 0.7639
Schistosoma mansoni hypothetical protein 0.0102 0.1167 0.2892
Brugia malayi PHD-finger family protein 0.0038 0.0254 0.0292
Echinococcus multilocularis chromobox protein 1 0.0068 0.0682 0.0697
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.009 0.0999 0.2475
Loa Loa (eye worm) hypothetical protein 0.0047 0.0385 0.0442
Echinococcus multilocularis jumonji domain containing 1A 0.0037 0.0247 0.0252
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.00000000013188 0.00000000096089
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0256 0.1865
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0037 0.0247 0.0252
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0234 0.3072 0.3534
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0255 0.012
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0234 0.3072 0.7612
Leishmania major hypothetical protein, conserved 0.0037 0.0247 0.0485
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0247 0.0284
Echinococcus multilocularis jumonji domain containing protein 0.0161 0.2023 0.2066
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.0385 0.0385
Schistosoma mansoni hypothetical protein 0.0047 0.0385 0.0953
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.3788 0.3814
Brugia malayi AF-10 protein 0.0038 0.0254 0.0292
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.0385 0.0442
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0385 0.0393
Echinococcus multilocularis lysine specific demethylase 5A 0.014 0.1722 0.1759
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0037 0.0247 0.0612
Schistosoma mansoni hypothetical protein 0.0047 0.0385 0.0953
Loa Loa (eye worm) hypothetical protein 0.0038 0.0255 0.0294
Onchocerca volvulus 0.0713 0.9932 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0041 0.0301 0.0746
Echinococcus granulosus GPCR family 2 0.0047 0.0385 0.0385
Echinococcus granulosus geminin 0.0173 0.2186 0.2186
Giardia lamblia Fructose-bisphosphate aldolase 0.0284 0.3788 1
Brugia malayi latrophilin 2 splice variant baaae 0.0102 0.1167 0.1343
Echinococcus granulosus histone lysine methyltransferase setb 0.009 0.0999 0.0999
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.3788 0.3814
Brugia malayi jmjC domain containing protein 0.0037 0.0247 0.0284
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0682 0.0687
Brugia malayi jmjC domain containing protein 0.0037 0.0247 0.0284
Echinococcus multilocularis GPCR, family 2 0.0047 0.0385 0.0393
Loa Loa (eye worm) hypothetical protein 0.0192 0.246 0.2831
Brugia malayi jmjC domain containing protein 0.0037 0.0247 0.0284
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.0385 0.0393
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0385 0.0442
Brugia malayi jmjC domain containing protein 0.0037 0.0247 0.0284
Schistosoma mansoni inositol monophosphatase 0.0038 0.0256 0.0634
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0256 0.0503
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0256 0.0261
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0256 0.0503
Plasmodium falciparum phd finger protein, putative 0.0116 0.1372 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.1167 0.1343
Toxoplasma gondii PHD-finger domain-containing protein 0.0116 0.1372 1
Echinococcus granulosus lysine specific demethylase 6a 0.0037 0.0247 0.0247
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.3788 0.3814
Treponema pallidum fructose-bisphosphate aldolase 0.0284 0.3788 0.5
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0256 0.0676
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0139 0.1702 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.014 0.1722 0.4268
Schistosoma mansoni hypothetical protein 0.0047 0.0385 0.0953
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0385 0.0385
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.3788 0.3814
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.1017 0.117
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0297 0.0299
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0255 0.0257
Leishmania major C-8 sterol isomerase-like protein 0.0375 0.5091 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0256 0.5
Brugia malayi hypothetical protein 0.0108 0.1256 0.1445
Schistosoma mansoni hypothetical protein 0.0173 0.2186 0.5418
Echinococcus multilocularis PHD finger protein rhinoceros 0.0116 0.1372 0.1401
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0101 0.1158 0.2869
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.038 0.5154 0.5154
Echinococcus multilocularis JmjC domain containing protein 4 0.0037 0.0247 0.0252
Brugia malayi Bromodomain containing protein 0.0116 0.1372 0.1579
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.3788 0.3814
Brugia malayi jmjC domain containing protein 0.038 0.5154 0.593
Trichomonas vaginalis set domain proteins, putative 0.0713 0.9932 1
Echinococcus multilocularis peregrin 0.0116 0.1372 0.1401
Schistosoma mansoni jumonji domain containing protein 0.0037 0.0247 0.0612
Loa Loa (eye worm) jmjC domain-containing protein 0.014 0.1722 0.1982
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.009 0.0999 0.2475
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0256 0.0258
Schistosoma mansoni phosphatidylserine receptor 0.0037 0.0247 0.0612
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0255 0.0257
Schistosoma mansoni jumonji/arid domain-containing protein 0.014 0.1722 0.4268
Plasmodium vivax hypothetical protein, conserved 0.0038 0.0254 0.006
Schistosoma mansoni hypothetical protein 0.0116 0.1372 0.3401
Brugia malayi chromobox protein homolog 3 0.0038 0.0255 0.0294
Schistosoma mansoni jumonji domain containing protein 0.0302 0.4035 1
Schistosoma mansoni chromobox protein 0.0068 0.0682 0.1691
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0037 0.0247 0.1799
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0284 0.3788 0.3814
Loa Loa (eye worm) hypothetical protein 0.0037 0.0247 0.0284
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.1017 0.1038
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.009 0.0999 0.2475
Echinococcus granulosus chromobox protein 1 0.0068 0.0682 0.0682
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0247 0.0284
Brugia malayi F/Y-rich N-terminus family protein 0.0041 0.0301 0.0346
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1017 0.252
Echinococcus granulosus chromobox protein 1 0.0068 0.0682 0.0682
Brugia malayi Inositol-1 0.0038 0.0256 0.0295
Schistosoma mansoni hypothetical protein 0.0038 0.0254 0.0629
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0385 0.0442
Echinococcus granulosus JmjC domain containing protein 4 0.0037 0.0247 0.0247
Loa Loa (eye worm) hypothetical protein 0.009 0.0999 0.1149
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0037 0.0247 0.0485
Loa Loa (eye worm) hypothetical protein 0.0116 0.1372 0.1579
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.1017 0.1017
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0038 0.0254 0.1848
Echinococcus granulosus jumonji domain containing protein 0.0161 0.2023 0.2023
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0038 0.0254 0.0498
Schistosoma mansoni hypothetical protein 0.0173 0.2186 0.5418
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0087 0.0951 0.0951
Loa Loa (eye worm) heterochromatin protein 1 0.0068 0.0682 0.0785
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.009 0.0999 0.102
Schistosoma mansoni inositol monophosphatase 0.0038 0.0256 0.0634
Echinococcus granulosus peregrin 0.0116 0.1372 0.1372
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0037 0.0247 0.1799
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0139 0.1702 1
Brugia malayi PHD-finger family protein 0.0116 0.1372 0.1579
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0149 0.1841 0.2118
Schistosoma mansoni chromobox protein 0.0068 0.0682 0.1691
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.1017 0.252
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.1017 0.1017
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0149 0.1841 0.2118
Loa Loa (eye worm) PHD-finger family protein 0.0116 0.1372 0.1579
Trichomonas vaginalis chromobox protein, putative 0.0068 0.0682 0.0687
Brugia malayi Pre-SET motif family protein 0.009 0.0999 0.1149
Brugia malayi ERG2 and Sigma1 receptor like protein 0.0375 0.5091 0.5857
Brugia malayi Pre-SET motif family protein 0.0626 0.8691 1
Echinococcus granulosus lysine specific demethylase 5A 0.014 0.1722 0.1722
Toxoplasma gondii PHD-finger domain-containing protein 0.0038 0.0254 0.1848
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0297 0.0162
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0256 0.0256
Echinococcus granulosus leukotriene A 4 hydrolase 0.0234 0.3072 0.3072
Plasmodium vivax SET domain protein, putative 0.009 0.0999 0.6678
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.038 0.5154 0.5263
Brugia malayi jmjC domain containing protein 0.014 0.1722 0.1982
Echinococcus granulosus jumonji domain containing 1A 0.0037 0.0247 0.0247
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0256 0.0258
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0096 0.0097

Activities

No activities found for this compound.

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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