SCHEMBL8985457

SCHEMBL8985457

CN(C)C(=O)c1cc(-c2ccc(S(C)(=O)=O)cc2)c(-c2ccc(F)cc2)s1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.63
PTGS1 P23219 3/20 0.62
KDM4E B2RXH2 1/20 0.62
MT-CO1 P00395 1/20 0.62
MT-CO2 P00403 1/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
HPGD P15428 1/20 0.62
TSHR P16473 1/20 0.62
CYP2C19 P33261 1/20 0.62
HSD17B10 Q99714 1/20 0.62
MAPK14 Q16539 2/20 0.51

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
SCHEMBL8985290 1.00 PTGS2 (0.63) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985408 0.94 PTGS2 (0.52) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985518 0.92 PTGS2 (0.64) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985467 0.90 MAPK14 (0.60) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985301 0.88 PTGS2 (0.55) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985483 0.88 PTGS2 (0.48) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985509 0.88 PTGS2 (0.49) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985466 0.88 PTGS2 (0.57) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985321 0.86 MAPK14 (0.68) PTGS2PTGS1KDM4EMT-CO1MT-CO2
SCHEMBL8985490 0.86 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