SCHEMBL6746478

SCHEMBL6746478

CS(=O)(=O)c1c(F)cc(C2=CCC=C2c2ccc(C(F)(F)F)cc2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.43
KIF11 P52732 13/20 0.42
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
APP P05067 1/20 0.35

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
SCHEMBL6744935 0.85 PTGS2 (0.36) PTGS2KIF11
SCHEMBL6743712 0.85 PTGS2 (0.44) PTGS2
SCHEMBL6749791 0.85 PTGS2 (0.40) PTGS2KIF11
SCHEMBL6746753 0.84 PTGS2 (0.45) PTGS2KIF11
SCHEMBL6746439 0.83 CASP1 (0.39) PTGS2KIF11
SCHEMBL6743255 0.83 KIF11 (0.44) PTGS2KIF11
SCHEMBL6745120 0.82 ACLY (0.35) PTGS2
SCHEMBL6750004 0.82 PTGS2 (0.46) PTGS2KIF11
SCHEMBL6749827 0.82 KIF11 (0.43) PTGS2KIF11
SCHEMBL6746358 0.82 KIF11 (0.46) PTGS2KIF11

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