SCHEMBL6746673

SCHEMBL6746673

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.42
CBFB Q13951 1/20 0.39
ABL1 P00519 3/20 0.39
TRPV1 Q8NER1 2/20 0.39
BCR P11274 2/20 0.39
PTGS1 P23219 2/20 0.38
FEN1 P39748 2/20 0.38
ALOX5AP P20292 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CTSD P07339 2/20 0.37
BACE1 P56817 2/20 0.37
BACE2 Q9Y5Z0 2/20 0.37
MALT1 Q9UDY8 2/20 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
SCHEMBL6749869 0.89 DHODH (0.42) CBFBTRPV1FEN1CTSDBACE1
SCHEMBL6726003 0.88 PTGS2 (0.41) PTGS2CBFBABL1TRPV1BCR
SCHEMBL6744770 0.85 KIF11 (0.43) PTGS2TRPV1PTGS1FEN1ALOX5AP
SCHEMBL6834690 0.84 PTGS2 (0.45) PTGS2ABL1TRPV1BCRPTGS1
SCHEMBL6746852 0.84 PTGS2 (0.47) PTGS2PTGS1FEN1ALOX5APCA1
SCHEMBL6746002 0.84 PTGS2 (0.41) PTGS2TRPV1PTGS1FEN1ALOX5AP
SCHEMBL6747337 0.84 FEN1 (0.38) PTGS2TRPV1PTGS1FEN1ALOX5AP
SCHEMBL6746225 0.83 PTGS2 (0.43) PTGS2PTGS1FEN1ALOX5APCA1
SCHEMBL6743148 0.83 PTGS2 (0.51) PTGS2ABL1PTGS1FEN1ALOX5AP
SCHEMBL6743053 0.82 PTGS2 (0.41) PTGS2CBFBABL1TRPV1BCR

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