SCHEMBL5323316

SCHEMBL5323316

COc1ccc2cscc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.58
CYP1A2 P05177 2/20 0.58
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GSTP1 P09211 1/20 0.47
BACE1 P56817 1/20 0.46
NCF1 P14598 1/20 0.46
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43

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
SCHEMBL443070 0.83 CYP1A2 (0.79) CYP2A6CYP1A2HSD17B1HSD17B2NPC1
SCHEMBL29447161 0.83 CYP1A2 (0.79) CYP2A6CYP1A2HSD17B1HSD17B2NPC1
SCHEMBL7452675 0.78 CYP1A2 (0.71) CYP2A6CYP1A2HSD17B1HSD17B2NPC1
SCHEMBL443528 0.78 CYP2A6 (0.80) CYP2A6CYP1A2HSD17B1HSD17B2NPC1
SCHEMBL7456084 0.78 CYP1A2 (0.71) CYP2A6CYP1A2HSD17B1HSD17B2NPC1
SCHEMBL7451812 0.78 CYP1A2 (0.71) CYP2A6CYP1A2HSD17B1HSD17B2NPC1
SCHEMBL2249185 0.78 CYP1A2 (0.71) CYP2A6CYP1A2HSD17B1HSD17B2NPC1
SCHEMBL6891918 0.78 CYP1A2 (0.71) CYP2A6CYP1A2HSD17B1HSD17B2NPC1
SCHEMBL29919511 0.78 CYP1A2 (0.71) CYP2A6CYP1A2HSD17B1HSD17B2NPC1
SCHEMBL29367032 0.78 CYP2A6 (0.80) CYP2A6CYP1A2HSD17B1HSD17B2NPC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007001076-A1 SOLID ELECTROLYTIC CAPACITOR AND PRODUCTION METHOD THEREOF SHOWA DENKO K.K. (JP) 2007-01-04 WO disclosed
EP-1728256-A1 CROSSLINKED SELF-DOPING TYPE ELECTRICALLY CONDUCTING POLYMER, PRODUCTION PROCESS THEREOF, PRODUCT COATED WITH THE POLYMER AND ELECTRONIC DEVICE Showa Denko K.K. (JP) 2006-12-06 EP disclosed
WO-2005091309-A1 CROSSLINKED SELF-DOPING TYPE ELECTRICALLY CONDUCTING POLYMER, PRODUCTION PROCESS THEREOF, PRODUCT COATED WITH THE POLYMER AND ELECTRONIC DEVICE SHOWA DENKO K.K. (JP) 2005-09-29 WO disclosed
US-4795242-A ELECTROCONDUCTIVITY UNIVERSITY OF CALIFORNIA (US) 1989-01-03 US disclosed
EP-0273643-A2 Conducting substituted polyisothianophthenes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1988-07-06 EP disclosed