SCHEMBL6744770

SCHEMBL6744770

NS(=O)(=O)c1c(F)cc(-c2ncccc2-c2ccc(C(F)(F)F)cc2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.43
FEN1 P39748 4/20 0.43
ALOX5AP P20292 3/20 0.43
TRPV1 Q8NER1 3/20 0.43
TOP1 P11387 2/20 0.41
PTGS2 P35354 3/20 0.40
PTGS1 P23219 2/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
MAOB P27338 1/20 0.39
COMT P21964 1/20 0.38
LMNA P02545 1/20 0.38
AR P10275 1/20 0.38

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
SCHEMBL6746734 0.88 LMNA (0.44) FEN1ALOX5APCA1CA2MAOB
SCHEMBL6746852 0.87 PTGS2 (0.47) FEN1ALOX5APPTGS2PTGS1CA1
SCHEMBL6723930 0.87 ALOX5AP (0.47) KIF11FEN1ALOX5APTRPV1TOP1
SCHEMBL6746225 0.86 PTGS2 (0.43) FEN1ALOX5APPTGS2PTGS1CA1
SCHEMBL6743148 0.86 PTGS2 (0.51) FEN1ALOX5APTOP1PTGS2PTGS1
SCHEMBL6744788 0.85 PTGS2 (0.48) FEN1ALOX5APPTGS2PTGS1CA1
SCHEMBL6747444 0.85 PTGS2 (0.44) FEN1ALOX5APPTGS2PTGS1CA1
SCHEMBL6746673 0.85 PTGS2 (0.42) FEN1ALOX5APTRPV1PTGS2PTGS1
SCHEMBL6746754 0.85 FEN1 (0.44) FEN1ALOX5APPTGS2PTGS1CA1
SCHEMBL6837026 0.83 KIF11 (0.46) KIF11TOP1PTGS2PTGS1CA1

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