SCHEMBL6744631

SCHEMBL6744631

Cc1cc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)c(F)c2)ccc1F

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.49
PTGS1 P23219 5/20 0.49
TGFBR1 P36897 3/20 0.42
FEN1 P39748 5/20 0.41
KMO O15229 1/20 0.40
ALOX5AP P20292 4/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
GLO1 Q04760 1/20 0.38
CA5A P35218 1/20 0.38
CA5B Q9Y2D0 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
SCHEMBL6747442 0.93 PTGS2 (0.49) PTGS2PTGS1TGFBR1FEN1KMO
SCHEMBL6746864 0.91 FEN1 (0.42) PTGS2PTGS1TGFBR1FEN1KMO
SCHEMBL6744191 0.91 FEN1 (0.40) PTGS2PTGS1TGFBR1FEN1KMO
SCHEMBL6746754 0.90 FEN1 (0.44) PTGS2PTGS1TGFBR1FEN1KMO
SCHEMBL6742763 0.90 PTGS2 (0.52) PTGS2PTGS1TGFBR1FEN1KMO
SCHEMBL6746750 0.88 FEN1 (0.40) PTGS2PTGS1TGFBR1FEN1KMO
SCHEMBL6744788 0.88 PTGS2 (0.48) PTGS2PTGS1TGFBR1FEN1ALOX5AP
SCHEMBL6743767 0.88 KIF11 (0.41) PTGS2PTGS1TGFBR1FEN1KMO
SCHEMBL6746048 0.87 PTGS2 (0.52) PTGS2PTGS1TGFBR1FEN1KMO
SCHEMBL6725930 0.87 PTGS2 (0.48) PTGS2PTGS1TGFBR1FEN1KMO

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