SCHEMBL6944790

SCHEMBL6944790

CCCC(=O)N(c1ccccc1/C=C/c1cc[n+]([O-])cc1)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.77

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.77
LDHA P00338 1/20 0.43
KEAP1 Q14145 7/20 0.40
NFE2L2 Q16236 6/20 0.40
STAT3 P40763 1/20 0.39
MAPT P10636 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
GAA P10253 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
SNCA P37840 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 2/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6944793 1.00 MET (0.77) METLDHAKEAP1NFE2L2STAT3
SCHEMBL6951877 0.92 MET (0.80) METKEAP1NFE2L2STAT3MAPT
SCHEMBL6951874 0.92 MET (0.80) METKEAP1NFE2L2STAT3MAPT
Hydrochloric Acid SCHEMBL5175657 0.89 MET (0.77) METKEAP1NFE2L2STAT3MAPT
Hydrochloric Acid SCHEMBL5175648 0.89 MET (0.77) METKEAP1NFE2L2STAT3MAPT
Hydrochloric Acid SCHEMBL5175066 0.88 MET (0.76) METKEAP1NFE2L2STAT3MAPT
Hydrochloric Acid SCHEMBL5175070 0.88 MET (0.76) METKEAP1NFE2L2STAT3MAPT
Hmn-214 SCHEMBL5173713 0.87 MET (1.00) METKEAP1NFE2L2STAT3MAPT
Hmn-214 SCHEMBL29360540 0.87 MET (1.00) METKEAP1NFE2L2STAT3MAPT
Hmn-214 SCHEMBL5173720 0.87 MET (1.00) METKEAP1NFE2L2STAT3MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0754682-B9 AMINOSTILBAZOLE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 2003-09-17 EP disclosed
EP-0754682-B1 AMINOSTILBAZOLE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 2001-10-17 EP disclosed
US-5972976-A FOR TREATMENT OF VARIOUS MALIGNANT TUMORS; (E)-4-(2-(2-(N-acetyl-N-((p-methoxyphenyl)sulfonyl)amino)phenyl)ethenyl)pyridine-1-oxide for example NIPPON SHINYAKU COMPANY, LIMITED 1999-10-26 US disclosed
EP-0754682-A1 AMINOSTILBAZOLE DERIVATIVE AND MEDICINE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1997-01-22 EP disclosed