SCHEMBL6746754

SCHEMBL6746754

NS(=O)(=O)c1c(F)cc(-c2ncccc2-c2ccc(F)c(F)c2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 9/20 0.44
GLO1 Q04760 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ALOX5AP P20292 7/20 0.41
PTGS2 P35354 6/20 0.41
PTGS1 P23219 4/20 0.41
TGFBR1 P36897 1/20 0.40
MAOB P27338 1/20 0.40
KMO O15229 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
SCHEMBL6744631 0.90 PTGS2 (0.49) FEN1GLO1CA1CA2ALOX5AP
SCHEMBL6747444 0.90 PTGS2 (0.44) FEN1GLO1CA1CA2ALOX5AP
SCHEMBL6746852 0.89 PTGS2 (0.47) FEN1CA1CA2ALOX5APPTGS2
SCHEMBL6746864 0.88 FEN1 (0.42) FEN1CA1CA2ALOX5APPTGS2
SCHEMBL6750048 0.88 FEN1 (0.42) FEN1CA1CA2ALOX5APPTGS2
SCHEMBL6746225 0.88 PTGS2 (0.43) FEN1CA1CA2ALOX5APPTGS2
SCHEMBL6743148 0.88 PTGS2 (0.51) FEN1CA1CA2ALOX5APPTGS2
SCHEMBL6746016 0.87 RORB (0.43) FEN1GLO1CA1CA2PTGS2
SCHEMBL6747442 0.87 PTGS2 (0.49) FEN1CA1CA2ALOX5APPTGS2
SCHEMBL6750081 0.87 PTGS1 (0.45) FEN1GLO1CA1CA2ALOX5AP

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