SCHEMBL8985296

SCHEMBL8985296

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

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.44
PTGS2 P35354 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MT-CO1 P00395 1/20 0.44
MT-CO2 P00403 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
APP P05067 3/20 0.34

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
SCHEMBL8985506 0.84 APP (0.33) APP
SCHEMBL8985328 0.84 PTGS1 (0.43) PTGS1PTGS2KDM4EMT-CO1MT-CO2
SCHEMBL8985497 0.81 APP (0.35) PTGS2APP
SCHEMBL8985478 0.80 MAPK14 (0.48) PTGS1PTGS2KDM4EHPGDHSD17B10
SCHEMBL8985413 0.78 PTGS2 (0.71) PTGS1PTGS2KDM4EMT-CO1MT-CO2
SCHEMBL8985332 0.76 PTGS1 (0.43) PTGS1PTGS2KDM4EMT-CO1MT-CO2
SCHEMBL15824911 0.73 TSHR (0.42) CYP3A4HPGDTSHRHSD17B10APP
SCHEMBL8985521 0.70 PTGS1 (0.30) PTGS1PTGS2KDM4EMT-CO1MT-CO2
SCHEMBL8985252 0.68 MAPK14 (0.44) PTGS1PTGS2
SCHEMBL8985372 0.68 PTGS2 (0.34) PTGS1PTGS2KDM4EMT-CO1MT-CO2

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
US-5571810-A ANTIINFLAMMATORY AGENTS, ANALGESICS, COLLAGEN DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-05 US claimed
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