SCHEMBL6744191

SCHEMBL6744191

Cc1cc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)c(F)c2)ccc1Br

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 8/20 0.40
PTGS2 P35354 7/20 0.39
PTGS1 P23219 5/20 0.39
KMO O15229 1/20 0.39
TGFBR1 P36897 2/20 0.38
ALOX5AP P20292 7/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.36
CA9 Q16790 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
SCHEMBL6746750 0.91 FEN1 (0.40) FEN1PTGS2PTGS1KMOTGFBR1
SCHEMBL6744631 0.91 PTGS2 (0.49) FEN1PTGS2PTGS1KMOTGFBR1
SCHEMBL6747442 0.91 PTGS2 (0.49) FEN1PTGS2PTGS1KMOTGFBR1
SCHEMBL6746864 0.89 FEN1 (0.42) FEN1PTGS2PTGS1KMOTGFBR1
SCHEMBL6750048 0.89 FEN1 (0.42) FEN1PTGS2PTGS1KMOALOX5AP
SCHEMBL6742763 0.87 PTGS2 (0.52) FEN1PTGS2PTGS1KMOTGFBR1
SCHEMBL6722095 0.87 PTGS2 (0.42) FEN1PTGS2PTGS1KMOTGFBR1
SCHEMBL6746225 0.87 PTGS2 (0.43) FEN1PTGS2PTGS1ALOX5APCA1
SCHEMBL6744788 0.85 PTGS2 (0.48) FEN1PTGS2PTGS1TGFBR1ALOX5AP
SCHEMBL6743767 0.85 KIF11 (0.41) FEN1PTGS2PTGS1KMOTGFBR1

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