SCHEMBL8985195

SCHEMBL8985195

CN(C=O)c1ccc(-c2sc(C#N)cc2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.47
PTGS1 P23219 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

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
SCHEMBL8985378 0.84 PGR (0.33) PTGS2
SCHEMBL8985322 0.84 PTGS2 (0.33) PTGS2PTGS1
SCHEMBL8985262 0.83 PTGS2 (0.65) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8097094 0.80 PTGS2 (0.70) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985472 0.80 AURKA (0.48) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985189 0.78 PTGS2 (0.49) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985456 0.78 PTGS2 (0.51) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985407 0.76 MAPK14 (0.51) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL9203215 0.69 PTGS2 (0.54) PTGS2PTGS1CYP2C9
SCHEMBL8985408 0.66 PTGS2 (0.52) PTGS2PTGS1KDM4EMT-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 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