SCHEMBL6742763

SCHEMBL6742763

Cc1cc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)c(F)c2)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.52
PTGS1 P23219 8/20 0.52
KMO O15229 1/20 0.47
SCN9A Q15858 4/20 0.41
TGFBR1 P36897 1/20 0.40
FEN1 P39748 3/20 0.39
ALOX5AP P20292 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 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
SCHEMBL6746048 0.91 PTGS2 (0.52) PTGS2PTGS1KMOTGFBR1FEN1
SCHEMBL6747442 0.90 PTGS2 (0.49) PTGS2PTGS1KMOTGFBR1FEN1
SCHEMBL6744631 0.90 PTGS2 (0.49) PTGS2PTGS1KMOTGFBR1FEN1
SCHEMBL6750081 0.90 PTGS1 (0.45) PTGS2PTGS1KMOFEN1ALOX5AP
SCHEMBL6746864 0.88 FEN1 (0.42) PTGS2PTGS1KMOTGFBR1FEN1
SCHEMBL6723136 0.88 PTGS2 (0.51) PTGS2PTGS1KMOSCN9ATGFBR1
SCHEMBL6744191 0.87 FEN1 (0.40) PTGS2PTGS1KMOTGFBR1FEN1
SCHEMBL6746360 0.86 PTGS2 (0.46) PTGS2PTGS1KMOSCN9AFEN1
SCHEMBL6746750 0.85 FEN1 (0.40) PTGS2PTGS1KMOTGFBR1FEN1
SCHEMBL6747444 0.84 PTGS2 (0.44) PTGS2PTGS1KMOFEN1ALOX5AP

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