SCHEMBL6744241

SCHEMBL6744241

NS(=O)(=O)c1c(F)cc(-c2ncccc2-c2cccc(F)c2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 8/20 0.43
CDC7 O00311 1/20 0.41
ROCK2 O75116 1/20 0.41
MAP4K4 O95819 1/20 0.41
PIM1 P11309 1/20 0.41
PRKACA P17612 1/20 0.41
CDK2 P24941 1/20 0.41
GSK3B P49841 1/20 0.41
HIPK2 Q9H2X6 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
ALOX5AP P20292 7/20 0.40
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.39
CHRNA7 P36544 2/20 0.39
MAOB P27338 1/20 0.39
SLC22A12 Q96S37 1/20 0.38
NFE2L2 Q16236 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
SCHEMBL6744767 0.90 CA1 (0.42) FEN1CA1CA2ALOX5APPTGS2
SCHEMBL6743148 0.88 PTGS2 (0.51) FEN1CA1CA2ALOX5APPTGS2
SCHEMBL6747351 0.88 FEN1 (0.41) FEN1CA1CA2ALOX5APPTGS2
SCHEMBL6743007 0.88 FEN1 (0.41) FEN1CA1CA2ALOX5APPTGS2
SCHEMBL6746016 0.88 RORB (0.43) FEN1CA1CA2PTGS2PTGS1
SCHEMBL6746852 0.87 PTGS2 (0.47) FEN1CA1CA2ALOX5APPTGS2
SCHEMBL6746754 0.87 FEN1 (0.44) FEN1CA1CA2ALOX5APPTGS2
SCHEMBL6746864 0.86 FEN1 (0.42) FEN1CA1CA2ALOX5APPTGS2
SCHEMBL6746734 0.85 LMNA (0.44) FEN1PIM1CA1CA2ALOX5AP
SCHEMBL6718427 0.85 FEN1 (0.46) FEN1CDC7ROCK2MAP4K4PIM1

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