SCHEMBL6949570

SCHEMBL6949570

CCOc1ccc(S(=O)(=O)N(CCO)c2ccccc2/C=C/c2ccncc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
MET P08581 1/20 0.41
OXTR P30559 3/20 0.41
AVPR1A P37288 3/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
RELA Q04206 1/20 0.39
LMNA P02545 1/20 0.39
NR2F2 P24468 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
ALOX5 P09917 1/20 0.38
PTGER1 P34995 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL6949573 1.00 SMN1; SMN2 (0.44) SMN1; SMN2METOXTRAVPR1AMAPT
SCHEMBL6096889 0.90 SMN1; SMN2 (0.54) SMN1; SMN2METALDH1A1CYP3A4CYP2C9
SCHEMBL6096893 0.90 SMN1; SMN2 (0.54) SMN1; SMN2METALDH1A1CYP3A4CYP2C9
SCHEMBL6949866 0.84 MET (0.50) SMN1; SMN2METALDH1A1CYP3A4CYP2C9
SCHEMBL6949870 0.84 MET (0.50) SMN1; SMN2METALDH1A1CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL6952311 0.79 MET (0.48) SMN1; SMN2METMAPTALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL6952304 0.79 MET (0.48) SMN1; SMN2METMAPTALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL6951847 0.79 MET (0.48) SMN1; SMN2METALDH1A1CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL6951891 0.79 MET (0.48) SMN1; SMN2METMAPTALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL6951884 0.79 MET (0.48) SMN1; SMN2METMAPTALDH1A1CYP3A4

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