SCHEMBL6747322

SCHEMBL6747322

Cc1cc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)cc2F)ccc1F

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.50
PTGS1 P23219 6/20 0.50
FEN1 P39748 8/20 0.42
ALOX5AP P20292 7/20 0.42
TGFBR1 P36897 2/20 0.41
CA1 P00915 1/20 0.38
CA2 P00918 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
SCHEMBL6742739 0.93 PTGS2 (0.50) PTGS2PTGS1FEN1ALOX5APTGFBR1
SCHEMBL6746038 0.91 ALOX5AP (0.41) PTGS2PTGS1FEN1ALOX5APTGFBR1
SCHEMBL6745215 0.91 FEN1 (0.45) PTGS2PTGS1FEN1ALOX5APTGFBR1
SCHEMBL6749686 0.90 PTGS2 (0.53) PTGS2PTGS1FEN1ALOX5APTGFBR1
SCHEMBL6749461 0.89 FEN1 (0.47) PTGS2PTGS1FEN1ALOX5APCA1
SCHEMBL6746256 0.89 ALOX5AP (0.41) PTGS2PTGS1FEN1ALOX5APTGFBR1
SCHEMBL6749867 0.88 PTGS2 (0.49) PTGS2PTGS1FEN1ALOX5APCA1
SCHEMBL6749946 0.88 ALOX5AP (0.39) PTGS2PTGS1FEN1ALOX5AP
SCHEMBL6743290 0.88 PTGS2 (0.53) PTGS2PTGS1FEN1ALOX5APCA1
SCHEMBL6750062 0.87 CYP11B2 (0.41) PTGS2PTGS1FEN1ALOX5AP

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