SCHEMBL8985287

SCHEMBL8985287

CS(=O)(=O)Nc1ccc(-c2cc(C(N)=O)sc2-c2ccc(F)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.56
PTGS1 P23219 5/20 0.56
MAPK14 Q16539 5/20 0.50
IKBKB O14920 2/20 0.46
CHUK O15111 2/20 0.46
KDM4E B2RXH2 1/20 0.45
MT-CO1 P00395 1/20 0.45
MT-CO2 P00403 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CDC7 O00311 1/20 0.44
PLK4 O00444 1/20 0.44
DAPK3 O43293 1/20 0.44
PRKD3 O94806 1/20 0.44
MAP4K4 O95819 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
SCHEMBL8985442 0.89 MAPK14 (0.64) PTGS2PTGS1MAPK14KDM4EMT-CO1
SCHEMBL8985285 0.87 PTGS2 (0.52) PTGS2PTGS1MAPK14IKBKBKDM4E
SCHEMBL8985502 0.86 PTGS2 (0.51) PTGS2PTGS1MAPK14KDM4EMT-CO1
SCHEMBL8985461 0.84 PTGS2 (0.68) PTGS2PTGS1MAPK14KDM4EMT-CO1
SCHEMBL8985292 0.79 MAPK14 (0.57) PTGS2PTGS1MAPK14IKBKBCHUK
SCHEMBL8985348 0.78 PTGS2 (0.51) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985500 0.75 PTGS2 (0.50) PTGS2PTGS1MAPK14KDM4EMT-CO1
SCHEMBL8985366 0.74 MAPK14 (0.51) PTGS2PTGS1MAPK14TSHRCDC7
SCHEMBL14566255 0.74 IKBKB (0.80) IKBKBCHUK
SCHEMBL8985516 0.73 MAPK14 (0.83) PTGS2PTGS1MAPK14KDM4EMT-CO1

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