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SCHEMBL8629546

SCHEMBL8629546

COc1ccc(-c2c(-c3ccccc3S(N)(=O)=O)nn(C)c2C(F)(F)F)cc1F

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 12/20 0.49
▸ PTGS1 P23219 8/20 0.49
▸ F10 P00742 6/20 0.44
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ BRD4 O60885 1/20 0.39

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
SCHEMBL8634387 0.90 PTGS2 (0.46) PTGS2PTGS1F10BRD4
SCHEMBL8631748 0.88 PTGS2 (0.51) PTGS2PTGS1F10CYP1A2CYP2C9
SCHEMBL8631853 0.87 ALOX5AP (0.40) PTGS2PTGS1F10F2
SCHEMBL8631765 0.86 PTGS2 (0.45) PTGS2PTGS1F10CYP1A2CYP2C9
SCHEMBL8629017 0.86 PTGS2 (0.45) PTGS2PTGS1F10CYP1A2CYP2C9
SCHEMBL8630948 0.86 PTGS2 (0.46) PTGS2PTGS1F10F2
SCHEMBL8635102 0.86 PTGS2 (0.43) PTGS2PTGS1F10F2
SCHEMBL8630564 0.86 PTGS2 (0.45) PTGS2PTGS1F10F2
SCHEMBL8629311 0.85 F10 (0.49) PTGS2PTGS1F10F2
SCHEMBL8631727 0.85 PTGS2 (0.44) PTGS2PTGS1F10F2

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-5756530-A NON-STEROIDAL ANTIINFLAMMATORY AGENTS WITH REDUCED SIDE EFFECTS G. D. SEARLE & CO. (US) 1998-05-26 — — US disclosed