SCHEMBL8985304

SCHEMBL8985304

CS(=O)(=O)c1ccc(-c2cc(C(=O)O)sc2-c2ccc(N)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.55
PTGS1 P23219 3/20 0.51
MAPK14 Q16539 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MT-CO1 P00395 1/20 0.49
MT-CO2 P00403 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
HSD17B10 Q99714 1/20 0.49
OPRD1 P41143 1/20 0.45
AURKA O14965 1/20 0.44
ROCK2 O75116 1/20 0.44
CHEK2 O96017 1/20 0.44
CDK1 P06493 1/20 0.44
PIM1 P11309 1/20 0.44
FGFR3 P22607 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
SCHEMBL3246285 0.88 PTGS2 (0.51) PTGS2PTGS1MAPK14KDM4EMT-CO1
SCHEMBL8985490 0.87 PTGS2 (0.67) PTGS2PTGS1MAPK14KDM4EMT-CO1
SCHEMBL8985205 0.84 PTGS2 (0.55) PTGS2PTGS1MAPK14KDM4EMT-CO1
SCHEMBL8985473 0.83 MAPK14 (0.56) PTGS2PTGS1MAPK14KDM4EMT-CO1
SCHEMBL8985408 0.81 PTGS2 (0.52) PTGS2PTGS1MAPK14KDM4EMT-CO1
SCHEMBL8985314 0.80 PTGS2 (0.75) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985337 0.78 PTGS2 (0.52) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985461 0.78 PTGS2 (0.68) PTGS2PTGS1MAPK14KDM4EMT-CO1
SCHEMBL7617599 0.77 PTGS2 (0.64) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL7620139 0.76 PTGS2 (0.78) 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 1 patent. 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