TDR Targets

Basic information

Technical information

TDR Targets ID: 621529
Name: methyl 4-[(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3 -thiazol-2-yl]-2-cyanoethenyl]benzoate
MW: 390.412 | Formula: C21H14N2O4S
H donors: 0 H acceptors: 3 LogP: 4.1 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: N#CC(=Cc1ccc(cc1)C(=O)OC)c1scc(n1)c1ccc2c(c1)OCO2
InChi: 1S/C21H14N2O4S/c1-25-21(24)14-4-2-13(3-5-14)8-16(10-22)20-23-17(11-28-20)15-6-7-18-19(9-15)27-12-26-18/h2-9,11H,12H2,1H3/b16-8+
InChiKey: MPQSEWDDBGAYDD-LZYBPNLTSA-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

methyl 4-[2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyanoethenyl]benzoate
methyl 4-[(E)-2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-2-cyano-vinyl]benzoate
methyl 4-[2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-2-cyano-vinyl]benzoate
4-[(E)-2-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-2-cyanovinyl]benzoic acid methyl ester
4-[2-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-2-cyanovinyl]benzoic acid methyl ester
4-[2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-2-cyano-vinyl]benzoic acid methyl ester
4-[(E)-2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-2-cyano-vinyl]benzoic acid methyl ester
methyl 4-[2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyano-ethenyl]benzoate
methyl 4-[(E)-2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-2-cyano-ethenyl]benzoate
ZINC05023122
ZINC04263920

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
Mycobacterium tuberculosis	Conserved protein	0.0073	0.0687	0.1077
Trypanosoma cruzi	PAB1-binding protein , putative	0.0075	0.0719	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0073	0.0687	0.0582
Echinococcus granulosus	lamin	0.0108	0.12	0.1101
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0687	0.1327
Plasmodium vivax	ataxin-2 like protein, putative	0.0075	0.0719	1
Echinococcus multilocularis	lamin	0.0108	0.12	0.1101
Brugia malayi	Intermediate filament tail domain containing protein	0.0108	0.12	0.2319
Loa Loa (eye worm)	hypothetical protein	0.0108	0.12	0.2319
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0034	0.0119	0.0008
Loa Loa (eye worm)	transcription factor SMAD2	0.0248	0.3223	0.623
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0105	0.1148	0.222
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0668	0.1292
Schistosoma mansoni	tar DNA-binding protein	0.0383	0.5173	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0073	0.0687	0.0582
Brugia malayi	RNA recognition motif domain containing protein	0.0383	0.5173	1
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1149	0.2221
Mycobacterium leprae	conserved hypothetical protein	0.0073	0.0687	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0075	0.0716	0.0612
Schistosoma mansoni	lamin	0.0108	0.12	0.2151
Echinococcus multilocularis	lamin dm0	0.0108	0.12	0.1101
Trichomonas vaginalis	penicillin-binding protein, putative	0.0073	0.0687	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0072	0.0668	0.1292
Brugia malayi	Latrophilin receptor protein 2	0.0033	0.0111	0.0215
Schistosoma mansoni	hypothetical protein	0.0075	0.0716	0.1195
Leishmania major	hypothetical protein, conserved	0.0073	0.0687	0.9545
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0466	0.6376	1
Onchocerca volvulus		0.0108	0.12	1
Schistosoma mansoni	hypothetical protein	0.0072	0.0668	0.1101
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0073	0.0687	0.1137
Mycobacterium ulcerans	hypothetical protein	0.0073	0.0687	1
Echinococcus granulosus	intermediate filament protein	0.0108	0.12	0.1101
Loa Loa (eye worm)	intermediate filament protein	0.0108	0.12	0.2319
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0073	0.0687	0.1327
Echinococcus multilocularis	tumor protein p63	0.0717	1	1
Loa Loa (eye worm)	RNA binding protein	0.0383	0.5173	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0073	0.0687	0.1137
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0034	0.0119	0.0008
Toxoplasma gondii	LsmAD domain-containing protein	0.0075	0.0719	1
Brugia malayi	beta-lactamase family protein	0.0073	0.0687	0.1327
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0033	0.0111	0.0215
Schistosoma mansoni	tar DNA-binding protein	0.0383	0.5173	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0073	0.0687	0.5
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0052	0.0388	0.028
Loa Loa (eye worm)	beta-lactamase	0.0073	0.0687	0.1327
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0073	0.0687	0.1327
Plasmodium falciparum	ataxin-2 like protein, putative	0.0075	0.0719	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0105	0.1148	0.222
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0388	0.075
Brugia malayi	beta-lactamase	0.0073	0.0687	0.1327
Trichomonas vaginalis	D-aminoacylase, putative	0.0073	0.0687	0.5
Brugia malayi	TAR-binding protein	0.0383	0.5173	1
Echinococcus granulosus	tar DNA binding protein	0.0383	0.5173	0.5118
Brugia malayi	cytoplasmic intermediate filament protein	0.0058	0.0471	0.0911
Echinococcus granulosus	lamin dm0	0.0108	0.12	0.1101
Trichomonas vaginalis	D-aminoacylase, putative	0.0073	0.0687	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0075	0.0716	0.0612
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0105	0.1148	0.222
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0111	0.0215
Brugia malayi	hypothetical protein	0.0075	0.0719	0.1391
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0073	0.0687	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0073	0.0687	0.1077
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0687	0.1327
Echinococcus multilocularis	musashi	0.0108	0.12	0.1101
Trichomonas vaginalis	esterase, putative	0.0073	0.0687	0.5
Loa Loa (eye worm)	hypothetical protein	0.005	0.0359	0.0695
Brugia malayi	RNA binding protein	0.0383	0.5173	1
Loa Loa (eye worm)	hypothetical protein	0.0105	0.1148	0.222
Mycobacterium tuberculosis	Conserved protein	0.0073	0.0687	0.1077
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0719	0.1391
Mycobacterium tuberculosis	Probable hydrolase	0.0073	0.0687	0.1077
Schistosoma mansoni	hypothetical protein	0.0034	0.0119	0.0016
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0687	0.1327
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0033	0.0111	0.0215
Plasmodium falciparum	ataxin-2 like protein, putative	0.0075	0.0719	0.5
Trypanosoma brucei	PAB1-binding protein , putative	0.0075	0.0719	1
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0687	0.1327
Leishmania major	hypothetical protein, conserved	0.0075	0.0719	1
Echinococcus multilocularis	tar DNA binding protein	0.0383	0.5173	0.5118
Schistosoma mansoni	intermediate filament proteins	0.0108	0.12	0.2151
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0687	0.1327
Mycobacterium tuberculosis	Conserved protein	0.0073	0.0687	0.1077
Brugia malayi	hypothetical protein	0.0075	0.0716	0.1384
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1171	0.2264
Entamoeba histolytica	hypothetical protein	0.0075	0.0716	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0359	0.0695
Schistosoma mansoni	tar DNA-binding protein	0.0383	0.5173	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0073	0.0687	0.5
Onchocerca volvulus		0.0108	0.12	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0383	0.5173	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0073	0.0687	0.1077
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0073	0.0687	0.1077
Brugia malayi	MH2 domain containing protein	0.0248	0.3223	0.623
Loa Loa (eye worm)	TAR-binding protein	0.0383	0.5173	1
Schistosoma mansoni	transcription factor LCR-F1	0.0075	0.0716	0.1195
Onchocerca volvulus		0.0073	0.0687	0.5723
Mycobacterium tuberculosis	Probable lipase LipD	0.0073	0.0687	0.1077
Schistosoma mansoni	lamin	0.0108	0.12	0.2151
Brugia malayi	hypothetical protein	0.0049	0.0334	0.0645
Brugia malayi	intermediate filament protein	0.0108	0.12	0.2319
Onchocerca volvulus		0.0073	0.0687	0.5723
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0058	0.0471	0.0911
Onchocerca volvulus		0.0073	0.0687	0.5723
Onchocerca volvulus		0.0105	0.1149	0.9573
Mycobacterium tuberculosis	Probable esterase LipL	0.0073	0.0687	0.1077
Trypanosoma cruzi	PAB1-binding protein , putative	0.0075	0.0719	1
Mycobacterium ulcerans	beta-lactamase	0.0073	0.0687	1
Entamoeba histolytica	hypothetical protein	0.0075	0.0716	1
Mycobacterium ulcerans	lipase LipD	0.0073	0.0687	1
Schistosoma mansoni	tar DNA-binding protein	0.0383	0.5173	1
Brugia malayi	beta-lactamase family protein	0.0073	0.0687	0.1327
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0052	0.0388	0.028
Schistosoma mansoni	cellular tumor antigen P53	0.0105	0.1149	0.205
Mycobacterium leprae	Probable lipase LipE	0.0073	0.0687	1
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0687	0.1327
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0108	0.12	0.2319
Loa Loa (eye worm)	MH2 domain-containing protein	0.0248	0.3223	0.623
Entamoeba histolytica	hypothetical protein	0.0075	0.0716	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0073	0.0687	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0073	0.0687	0.1077
Entamoeba histolytica	hypothetical protein	0.0075	0.0716	1
Schistosoma mansoni	tar DNA-binding protein	0.0383	0.5173	1

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 621529