SCHEMBL7499074

SCHEMBL7499074

NS(=O)(=O)c1ccc(-c2oc(C(c3ccccc3)c3ccccc3)nc2-c2ccc(F)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.62
PTGS1 P23219 6/20 0.62
PTGDR2 Q9Y5Y4 1/20 0.48
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL7503544 0.88 PTGS2 (0.64) PTGS2PTGS1
SCHEMBL9024375 0.86 PTGS2 (0.65) PTGS2PTGS1PTGDR2
SCHEMBL8558824 0.84 PTGS2 (0.45) PTGS2PTGS1PTGDR2MAOAMAOB
SCHEMBL7508511 0.83 PTGS2 (0.54) PTGS2PTGS1MAOAMAOBCA1
SCHEMBL7499215 0.83 PTGS2 (0.54) PTGS2PTGS1MAOAMAOBCA1
SCHEMBL7506192 0.81 PTGS2 (0.67) PTGS2PTGS1MAOAMAOBCA1
SCHEMBL7505884 0.81 PTGS2 (0.67) PTGS2PTGS1MAOAMAOBCA1
SCHEMBL7504997 0.81 PTGS2 (0.63) PTGS2PTGS1PTGDR2MAOAMAOB
SCHEMBL7501957 0.81 PTGS2 (0.54) PTGS2PTGS1PTGDR2MAOAMAOB
SCHEMBL8549078 0.79 PTGS2 (0.40) PTGS2PTGS1PTGDR2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0699192-B1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-07-24 EP claimed
EP-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 EP claimed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 WO claimed
EP-0699192-B1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 2002-07-24 EP disclosed
EP-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 EP disclosed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 WO disclosed