SCHEMBL27552913

SCHEMBL27552913

CS(=O)(=O)c1ccc(-c2cc(C#N)nn2-c2ccc(CN)c(F)c2)cc1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.58
PTGS1 P23219 2/20 0.47
CYP2C9 P11712 1/20 0.44
AOC3 Q16853 1/20 0.43
ALOX5 P09917 1/20 0.42

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
SCHEMBL28746702 0.92 PTGS2 (0.58) PTGS2PTGS1CYP2C9AOC3ALOX5
SCHEMBL28744270 0.88 PTGS2 (0.53) PTGS2PTGS1CYP2C9ALOX5
SCHEMBL27528917 0.88 PTGS2 (0.55) PTGS2PTGS1CYP2C9AOC3ALOX5
SCHEMBL27574581 0.86 PTGS2 (0.55) PTGS2PTGS1CYP2C9AOC3ALOX5
SCHEMBL28744276 0.86 PTGS2 (0.53) PTGS2PTGS1CYP2C9ALOX5
SCHEMBL7867791 0.85 PTGS2 (0.59) PTGS2PTGS1CYP2C9AOC3ALOX5
SCHEMBL27528885 0.84 PTGS2 (0.49) PTGS2PTGS1CYP2C9AOC3ALOX5
SCHEMBL27331392 0.84 PTGS2 (0.60) PTGS2PTGS1CYP2C9ALOX5
SCHEMBL28744271 0.83 PTGS2 (0.69) PTGS2PTGS1CYP2C9ALOX5
SCHEMBL7878979 0.83 PTGS2 (0.59) PTGS2PTGS1CYP2C9AOC3ALOX5

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
CN-1271347-A 1, 5-diphenylpyrazole derivatives FUJISAWA PHARMACEUTICAL CO (JP) 2000-10-25 CN disclosed