SCHEMBL6744788

SCHEMBL6744788

Cc1ccc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)c(F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 9/20 0.48
PTGS1 P23219 5/20 0.48
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
FEN1 P39748 5/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
TGFBR1 P36897 2/20 0.39
ALOX5AP P20292 4/20 0.38
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
COMT P21964 1/20 0.37

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
SCHEMBL6746652 0.90 CA1 (0.40) PTGS2PTGS1MKNK1MKNK2FEN1
SCHEMBL6746852 0.90 PTGS2 (0.47) PTGS2PTGS1FEN1CA1CA2
SCHEMBL6746864 0.89 FEN1 (0.42) PTGS2PTGS1FEN1CA1CA2
SCHEMBL6746225 0.88 PTGS2 (0.43) PTGS2PTGS1FEN1CA1CA2
SCHEMBL6747196 0.88 CA1 (0.43) PTGS2PTGS1MKNK1MKNK2FEN1
SCHEMBL6743148 0.88 PTGS2 (0.51) PTGS2PTGS1FEN1CA1CA2
SCHEMBL6743007 0.88 FEN1 (0.41) PTGS2PTGS1FEN1CA1CA2
SCHEMBL6747442 0.88 PTGS2 (0.49) PTGS2PTGS1FEN1CA1CA2
SCHEMBL6744631 0.88 PTGS2 (0.49) PTGS2PTGS1FEN1CA1CA2
SCHEMBL6747444 0.87 PTGS2 (0.44) PTGS2PTGS1FEN1CA1CA2

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