SCHEMBL8985404

SCHEMBL8985404

COC(=O)Nc1cc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)s1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 18/20 0.62
PTGS1 P23219 4/20 0.60
KDM4E B2RXH2 1/20 0.60
MT-CO1 P00395 1/20 0.60
MT-CO2 P00403 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
HPGD P15428 1/20 0.60
TSHR P16473 1/20 0.60
CYP2C19 P33261 1/20 0.60
HSD17B10 Q99714 1/20 0.60

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
SCHEMBL8985423 0.91 PTGS2 (0.60) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985317 0.89 PTGS2 (0.63) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985547 0.88 PTGS2 (0.62) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985437 0.83 PTGS2 (0.67) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985464 0.79 PTGS2 (0.51) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985253 0.79 PTGS2 (0.64) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985324 0.78 PTGS2 (0.53) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985438 0.78 PTGS2 (0.72) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985321 0.78 MAPK14 (0.68) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985490 0.78 PTGS2 (0.67) 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 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