SCHEMBL6749867

SCHEMBL6749867

Cc1ccc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)cc2F)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.49
PTGS1 P23219 5/20 0.49
ALOX5AP P20292 5/20 0.41
FEN1 P39748 5/20 0.41
COMT P21964 1/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 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
SCHEMBL6744782 0.90 CA1 (0.39) PTGS2PTGS1ALOX5APFEN1COMT
SCHEMBL6749919 0.90 PTGS2 (0.47) PTGS2PTGS1ALOX5APFEN1COMT
SCHEMBL6750040 0.89 PTGS2 (0.46) PTGS2PTGS1ALOX5APFEN1CA1
SCHEMBL6747322 0.88 PTGS2 (0.50) PTGS2PTGS1ALOX5APFEN1CA1
SCHEMBL6742739 0.88 PTGS2 (0.50) PTGS2PTGS1ALOX5APFEN1
SCHEMBL6745215 0.88 FEN1 (0.45) PTGS2PTGS1ALOX5APFEN1
SCHEMBL6744800 0.88 FEN1 (0.40) PTGS2PTGS1ALOX5APFEN1CA1
SCHEMBL6746716 0.88 PTGS2 (0.43) PTGS2PTGS1ALOX5APFEN1CA1
SCHEMBL6746267 0.88 FEN1 (0.44) PTGS2PTGS1ALOX5APFEN1CA1
SCHEMBL6746037 0.87 ALOX5AP (0.44) PTGS2PTGS1ALOX5APFEN1MKNK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US claimed
US-6699884-B2 ANTIINFLAMMATORY CYCLOOXYGENASE INHIBITORS. PHARMACIA CORPORATION 2004-03-02 US disclosed