SCHEMBL6744898

SCHEMBL6744898

NS(=O)(=O)c1cc(F)c(-c2ncccc2-c2cc(Cl)cc(Cl)c2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.41
CA2 P00918 5/20 0.41
FEN1 P39748 6/20 0.39
ALOX5AP P20292 4/20 0.39
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 1/20 0.38
PTGS1 P23219 3/20 0.37
PTGS2 P35354 3/20 0.37
S100A4 P26447 2/20 0.35
CDC25B P30305 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL6743644 0.91 NPC1 (0.44) CA1CA2FEN1ALOX5APNPC1
SCHEMBL6746716 0.90 PTGS2 (0.43) CA1CA2FEN1ALOX5APNPC1
SCHEMBL6746459 0.88 CA1 (0.40) CA1CA2FEN1ALOX5AP
SCHEMBL6749461 0.86 FEN1 (0.47) CA1CA2FEN1ALOX5APPTGS1
SCHEMBL6750040 0.86 PTGS2 (0.46) CA1CA2FEN1ALOX5APHTT
SCHEMBL6745297 0.86 PTGES2 (0.45) CA1CA2FEN1ALOX5APPTGS1
SCHEMBL6744782 0.85 CA1 (0.39) CA1CA2FEN1ALOX5APPTGS1
SCHEMBL6722662 0.85 CA1 (0.41) CA1CA2FEN1ALOX5APNPC1
SCHEMBL6746111 0.85 CA1 (0.39) CA1CA2FEN1ALOX5APS100A4
SCHEMBL6749919 0.85 PTGS2 (0.47) CA1CA2FEN1ALOX5APPTGS1

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