SCHEMBL8985372

SCHEMBL8985372

C[S+]([O-])c1ccc(-c2cc(C#N)sc2-c2ccc(NCC=O)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.34
PGR P06401 2/20 0.31
PTGS1 P23219 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MT-CO1 P00395 1/20 0.31
MT-CO2 P00403 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NR3C1 P04150 1/20 0.30
NR3C2 P08235 1/20 0.30
AR P10275 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
SCHEMBL8985189 0.84 PTGS2 (0.49) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985328 0.84 PTGS1 (0.43) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985497 0.84 APP (0.35) PTGS2PGRNR3C1NR3C2AR
SCHEMBL8985319 0.83 PTGS2 (0.34) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985521 0.83 PTGS1 (0.30) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985252 0.80 MAPK14 (0.44) PTGS2PTGS1
SCHEMBL8985378 0.79 PGR (0.33) PTGS2PGRNR3C1NR3C2AR
SCHEMBL9207738 0.69 PTGS2 (0.45) PTGS2PTGS1NR3C2
SCHEMBL8985260 0.69 PTGS2 (0.65) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985456 0.69 PTGS2 (0.51) 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 2 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
WO-1991019708-A1 NEW THIOPHENE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-12-26 WO disclosed