SCHEMBL8985266

SCHEMBL8985266

CS(=O)(=O)c1ccc(-c2cc(-c3nnn[nH]3)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 19/20 0.58
PTGS1 P23219 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MT-CO1 P00395 1/20 0.57
MT-CO2 P00403 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
HPGD P15428 1/20 0.57
TSHR P16473 1/20 0.57
CYP2C19 P33261 1/20 0.57
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL12496526 1.00 PTGS2 (0.58) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL27938483 0.84 PTGS2 (0.42) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL3601024 0.79 MAPK14 (0.42) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985227 0.77 PTGS2 (0.51) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL12496465 0.76 ESR1 (0.41) PTGS2KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL16174412 0.75 HSD17B1 (0.44)
SCHEMBL16163404 0.75 EP300 (0.40) KDM4E
SCHEMBL12497027 0.75 EP300 (0.38) PTGS2PTGS1KDM4EHPGD
SCHEMBL8985454 0.73 PTGS2 (0.63) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL6494935 0.73 PTGS2 (0.42) PTGS2

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