SCHEMBL8985478

SCHEMBL8985478

CNc1ccc(-c2sc(C(C)=O)cc2-c2ccc([S+](C)[O-])cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.48
OPRD1 P41143 1/20 0.42
PTGS1 P23219 2/20 0.38
PTGS2 P35354 1/20 0.38
EP300 Q09472 4/20 0.33
APP P05067 2/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL8985252 0.85 MAPK14 (0.44) MAPK14OPRD1PTGS1PTGS2EP300
SCHEMBL8985373 0.83 OPRD1 (0.61) MAPK14OPRD1PTGS1PTGS2EP300
SCHEMBL8985296 0.80 PTGS1 (0.44) PTGS1PTGS2APPKDM4EHPGD
SCHEMBL8985506 0.80 APP (0.33) APP
SCHEMBL8985255 0.79 MAPK14 (0.45) MAPK14OPRD1PTGS1PTGS2
SCHEMBL8985415 0.77 PTGS2 (0.50) MAPK14OPRD1PTGS1PTGS2KDM4E
SCHEMBL8985497 0.77 APP (0.35) MAPK14PTGS2APP
SCHEMBL7619448 0.75 PTGS2 (0.68) MAPK14OPRD1PTGS1PTGS2KDM4E
SCHEMBL8985516 0.71 MAPK14 (0.83) MAPK14OPRD1PTGS1PTGS2KDM4E
SCHEMBL15824911 0.70 TSHR (0.42) APPMAPTHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5571810-A ANTIINFLAMMATORY AGENTS, ANALGESICS, COLLAGEN DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-05 US disclosed
EP-0593761-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-27 EP disclosed
WO-1991019708-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-26 WO disclosed