SCHEMBL6743767

SCHEMBL6743767

Cc1cc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)c(F)c2)ccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.41
FEN1 P39748 6/20 0.39
ALOX5AP P20292 5/20 0.39
KMO O15229 1/20 0.37
PTGS2 P35354 5/20 0.37
PTGS1 P23219 3/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN9A Q15858 1/20 0.37
TGFBR1 P36897 1/20 0.36

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
SCHEMBL6746250 0.91 FEN1 (0.39) KIF11FEN1ALOX5APPTGS2PTGS1
SCHEMBL6730163 0.88 PTGS1 (0.40) KIF11FEN1ALOX5APKMOPTGS2
SCHEMBL6744631 0.88 PTGS2 (0.49) FEN1ALOX5APKMOPTGS2PTGS1
SCHEMBL6747442 0.88 PTGS2 (0.49) FEN1ALOX5APKMOPTGS2PTGS1
SCHEMBL6746864 0.86 FEN1 (0.42) FEN1ALOX5APKMOPTGS2PTGS1
SCHEMBL6744191 0.85 FEN1 (0.40) FEN1ALOX5APKMOPTGS2PTGS1
SCHEMBL6836570 0.85 LRRK2 (0.40) KIF11PTGS2PTGS1CA12CA1
SCHEMBL6742763 0.84 PTGS2 (0.52) FEN1ALOX5APKMOPTGS2PTGS1
SCHEMBL6746002 0.84 PTGS2 (0.41) FEN1ALOX5APKMOPTGS2PTGS1
SCHEMBL6746750 0.83 FEN1 (0.40) FEN1ALOX5APKMOPTGS2PTGS1

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