SCHEMBL6747351

SCHEMBL6747351

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 6/20 0.41
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
PTGS2 P35354 4/20 0.38
PTGS1 P23219 2/20 0.38
MAOB P27338 1/20 0.37
ALOX5AP P20292 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CDC25B P30305 1/20 0.35
PADI1 Q9ULC6 1/20 0.35
PADI3 Q9ULW8 1/20 0.35
PADI4 Q9UM07 1/20 0.35
PADI2 Q9Y2J8 1/20 0.35
TDP2 O95551 1/20 0.35
NSD2 O96028 1/20 0.35
S100A4 P26447 1/20 0.35
PAX8 Q06710 1/20 0.35
HKDC1 Q2TB90 1/20 0.35

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
SCHEMBL6747265 0.90 CA1 (0.40) FEN1CA1CA2PTGS2PTGS1
SCHEMBL6746225 0.89 PTGS2 (0.43) FEN1CA1CA2PTGS2PTGS1
SCHEMBL6744241 0.88 FEN1 (0.43) FEN1CA1CA2PTGS2PTGS1
SCHEMBL6750048 0.86 FEN1 (0.42) FEN1CA1CA2PTGS2PTGS1
SCHEMBL6743148 0.86 PTGS2 (0.51) FEN1CA1CA2PTGS2PTGS1
SCHEMBL6730177 0.86 FEN1 (0.42) FEN1CA1CA2PTGS2PTGS1
SCHEMBL6743007 0.85 FEN1 (0.41) FEN1CA1CA2PTGS2PTGS1
SCHEMBL6746016 0.85 RORB (0.43) FEN1CA1CA2PTGS2PTGS1
SCHEMBL6746754 0.85 FEN1 (0.44) FEN1CA1CA2PTGS2PTGS1
SCHEMBL6744191 0.83 FEN1 (0.40) FEN1CA1CA2PTGS2PTGS1

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