SCHEMBL6746256

SCHEMBL6746256

Cc1ccc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)cc2F)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 10/20 0.41
FEN1 P39748 10/20 0.41
PTGS2 P35354 5/20 0.40
PTGS1 P23219 4/20 0.40
TGFBR1 P36897 2/20 0.37
CA1 P00915 1/20 0.36
CA2 P00918 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
SCHEMBL6746038 0.91 ALOX5AP (0.41) ALOX5APFEN1PTGS2PTGS1TGFBR1
SCHEMBL6742739 0.91 PTGS2 (0.50) ALOX5APFEN1PTGS2PTGS1TGFBR1
SCHEMBL6745215 0.91 FEN1 (0.45) ALOX5APFEN1PTGS2PTGS1TGFBR1
SCHEMBL6749997 0.90 FEN1 (0.43) ALOX5APFEN1CA1CA2
SCHEMBL6747322 0.89 PTGS2 (0.50) ALOX5APFEN1PTGS2PTGS1TGFBR1
SCHEMBL6743290 0.88 PTGS2 (0.53) ALOX5APFEN1PTGS2PTGS1CA1
SCHEMBL6723355 0.88 PTGS2 (0.42) ALOX5APFEN1PTGS2PTGS1TGFBR1
SCHEMBL6749867 0.86 PTGS2 (0.49) ALOX5APFEN1PTGS2PTGS1CA1
SCHEMBL6746267 0.86 FEN1 (0.44) ALOX5APFEN1PTGS2PTGS1CA1
SCHEMBL6745117 0.86 ALOX5AP (0.40) ALOX5APFEN1PTGS2PTGS1TGFBR1

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