TDR Targets

Basic information

Technical information

TDR Targets ID: 685218
Name: 3-methylsulfanyl-N-(4,5,6,7-tetrahydro-1,3-be nzothiazol-2-yl)benzamide
MW: 304.43 | Formula: C15H16N2OS2
H donors: 1 H acceptors: 2 LogP: 3.71 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CSc1cccc(c1)C(=O)Nc1nc2c(s1)CCCC2
InChi: 1S/C15H16N2OS2/c1-19-11-6-4-5-10(9-11)14(18)17-15-16-12-7-2-3-8-13(12)20-15/h4-6,9H,2-3,7-8H2,1H3,(H,16,17,18)
InChiKey: RFQLEUIWLRPBLO-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

3-(methylthio)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
ZINC04517479

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0535	0.0535
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0042	0.1891	1
Brugia malayi	MH1 domain containing protein	0.0008	0.0149	0.0149
Brugia malayi	jmjC domain containing protein	0.0059	0.2765	0.2765
Brugia malayi	jmjC domain containing protein	0.0015	0.0524	0.0524
Echinococcus multilocularis	lysine specific demethylase 6a	0.0015	0.0524	0.0632
Echinococcus granulosus	smad	0.0008	0.0149	0.018
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0524	0.0524
Schistosoma mansoni	tar DNA-binding protein	0.0124	0.6109	0.7364
Loa Loa (eye worm)	acetyltransferase	0.0142	0.7058	0.7058
Echinococcus multilocularis	JmjC domain containing protein 4	0.0015	0.0524	0.0632
Brugia malayi	CXXC zinc finger family protein	0.0028	0.1177	0.1177
Schistosoma mansoni	tar DNA-binding protein	0.0124	0.6109	0.7364
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0007	0.0096	0.0116
Brugia malayi	jmjC domain containing protein	0.0015	0.0524	0.0524
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0008	0.0149	0.018
Brugia malayi	jmjC domain containing protein	0.0015	0.0524	0.0524
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0149	0.018
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0057	0.2683	0.3235
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.1177	0.1177
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.0535	0.0645
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0015	0.0524	0.0632
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.2789	0.3362
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0149	0.018
Schistosoma mansoni	hypothetical protein	0.0166	0.8296	1
Echinococcus multilocularis	Smad4	0.0008	0.0149	0.018
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0042	0.1891	0.6454
Schistosoma mansoni	smad1 5 8 and	0.0008	0.0149	0.018
Echinococcus granulosus	tar DNA binding protein	0.0124	0.6109	0.7364
Loa Loa (eye worm)	hypothetical protein	0.0033	0.146	0.146
Loa Loa (eye worm)	jmjC domain-containing protein	0.0015	0.0524	0.0524
Schistosoma mansoni	cpg binding protein	0.0028	0.1177	0.1418
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0524	0.0524
Loa Loa (eye worm)	MH2 domain-containing protein	0.0008	0.0149	0.0149
Schistosoma mansoni	tar DNA-binding protein	0.0124	0.6109	0.7364
Brugia malayi	acetyltransferase, GNAT family protein	0.0142	0.7058	0.7058
Schistosoma mansoni	jumonji domain containing protein	0.0057	0.2683	0.3235
Echinococcus granulosus	GPCR family 2	0.0015	0.0535	0.0645
Echinococcus multilocularis	tar DNA binding protein	0.0124	0.6109	0.7364
Brugia malayi	MH2 domain containing protein	0.0008	0.0149	0.0149
Echinococcus granulosus	cpg binding protein	0.003	0.1259	0.1517
Echinococcus granulosus	mothers against decapentaplegic 5	0.0008	0.0149	0.018
Loa Loa (eye worm)	hypothetical protein	0.0199	1	1
Echinococcus multilocularis	smad	0.0008	0.0149	0.018
Schistosoma mansoni	protein phosphatase 2C	0.0015	0.0524	0.0632
Schistosoma mansoni	hypothetical protein	0.0015	0.0535	0.0645
Brugia malayi	MH1 domain containing protein	0.0008	0.0149	0.0149
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0166	0.8279	0.998
Echinococcus multilocularis	cpg binding protein	0.003	0.1259	0.1517
Schistosoma mansoni	smad	0.0008	0.0149	0.018
Loa Loa (eye worm)	RNA binding protein	0.0124	0.6109	0.6109
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0535	0.0535
Onchocerca volvulus		0.0028	0.1177	0.5
Echinococcus granulosus	geminin	0.0166	0.8296	1
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0184	0.0221
Echinococcus granulosus	jumonji domain containing 1A	0.0015	0.0524	0.0632
Brugia malayi	jmjC domain containing protein	0.0015	0.0524	0.0524
Echinococcus granulosus	lysine specific demethylase 6a	0.0015	0.0524	0.0632
Schistosoma mansoni	tar DNA-binding protein	0.0124	0.6109	0.7364
Schistosoma mansoni	cpg binding protein	0.003	0.1259	0.1517
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0059	0.2765	0.3334
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0124	0.6109	0.6109
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0138	0.6853	0.8261
Loa Loa (eye worm)	histone methyltransferase	0.0009	0.0184	0.0184
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.2256	0.2256
Schistosoma mansoni	cpg binding protein	0.003	0.1259	0.1517
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0535	0.0535
Schistosoma mansoni	hypothetical protein	0.0015	0.0535	0.0645
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0096	0.0116
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0057	0.2683	0.3235
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0142	0.7058	0.8508
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0535	0.0535
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0042	0.1891	0.228
Giardia lamblia	Histone acetyltransferase GCN5	0.0038	0.1712	0.5
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0142	0.7058	0.8508
Schistosoma mansoni	hypothetical protein	0.0166	0.8296	1
Leishmania major	hypothetical protein, conserved	0.0015	0.0524	0.5
Echinococcus multilocularis	GPCR, family 2	0.0015	0.0535	0.0645
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0015	0.0524	0.5
Loa Loa (eye worm)	jmjC domain-containing protein	0.0059	0.2765	0.2765
Brugia malayi	RNA binding protein	0.0124	0.6109	0.6109
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0008	0.0149	0.018
Echinococcus multilocularis	lysine specific demethylase 5A	0.0057	0.2683	0.3235
Trypanosoma brucei	JmjC domain, hydroxylase, putative	0.0015	0.0524	0.5
Schistosoma mansoni	Smad4	0.0008	0.0149	0.018
Entamoeba histolytica	acetyltransferase, GNAT family	0.0038	0.1712	0.5
Brugia malayi	TAR-binding protein	0.0124	0.6109	0.6109
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.0535	0.0645
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0178	0.0178
Loa Loa (eye worm)	MH2 domain-containing protein	0.0117	0.5767	0.5767
Loa Loa (eye worm)	Smad1	0.0008	0.0149	0.0149
Loa Loa (eye worm)	jmjC domain-containing protein	0.0015	0.0524	0.0524
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0524	0.0524
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.2256	0.2256
Echinococcus granulosus	Smad4	0.0008	0.0149	0.018
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0015	0.0524	0.5
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0042	0.1891	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0007	0.0096	0.0116
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.146	0.146
Schistosoma mansoni	phosphatidylserine receptor	0.0015	0.0524	0.0632
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0017	0.0606	0.073
Schistosoma mansoni	hypothetical protein	0.0015	0.0535	0.0645
Brugia malayi	RNA recognition motif domain containing protein	0.0124	0.6109	0.6109
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0007	0.0096	0.0116
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0008	0.0149	0.018
Schistosoma mansoni	jumonji domain containing protein	0.0015	0.0524	0.0632
Loa Loa (eye worm)	MH1 domain-containing protein	0.0008	0.0149	0.0149
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0042	0.1891	0.6454
Schistosoma mansoni	phd/f-box containing protein	0.0015	0.0524	0.0632
Brugia malayi	jmjC domain containing protein	0.0057	0.2683	0.2683
Brugia malayi	Smad1	0.0008	0.0149	0.0149
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0042	0.1891	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0166	0.8279	0.998
Echinococcus granulosus	phd:f box containing protein	0.0015	0.0524	0.0632
Plasmodium falciparum	histone acetyltransferase GCN5	0.0038	0.1712	1
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0007	0.0096	0.0116
Echinococcus granulosus	JmjC domain containing protein 4	0.0015	0.0524	0.0632
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0056	0.2642	1
Echinococcus multilocularis	geminin	0.0166	0.8296	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0059	0.2765	0.3334
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0008	0.0149	0.018
Echinococcus multilocularis	jumonji domain containing 1A	0.0015	0.0524	0.0632
Loa Loa (eye worm)	transcription factor SMAD2	0.0117	0.5767	0.5767
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0017	0.0606	0.073
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0184	0.0221
Brugia malayi	MH2 domain containing protein	0.0117	0.5767	0.5767
Echinococcus multilocularis	phd:f box containing protein	0.0015	0.0524	0.0632
Schistosoma mansoni	hypothetical protein	0.0033	0.146	0.1759
Loa Loa (eye worm)	jmjC domain-containing protein	0.0015	0.0524	0.0524
Loa Loa (eye worm)	TAR-binding protein	0.0124	0.6109	0.6109
Schistosoma mansoni	hypothetical protein	0.0015	0.0535	0.0645
Brugia malayi	MH2 domain containing protein	0.0008	0.0149	0.0149
Schistosoma mansoni	tar DNA-binding protein	0.0124	0.6109	0.7364
Echinococcus granulosus	lysine specific demethylase 5A	0.0059	0.2765	0.3334

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 685218