SCHEMBL7216642

SCHEMBL7216642

NS(=O)(=O)c1ccc(-c2c(-c3cccc(F)c3)nc3cnccn23)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.46
PTGS2 P35354 6/20 0.43
PTGS1 P23219 4/20 0.43
CHRNA7 P36544 4/20 0.42
CA9 Q16790 4/20 0.42
CA12 O43570 3/20 0.42
CA2 P00918 3/20 0.42
CA1 P00915 2/20 0.42
AKT1 P31749 1/20 0.39
AKT2 P31751 1/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 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
SCHEMBL7221055 0.88 GRIA1 (0.54) GRIA1PTGS2PTGS1
SCHEMBL7216663 0.87 CA1 (0.46) GRIA1PTGS2PTGS1CA9CA12
SCHEMBL7221568 0.87 GRIA1 (0.53) GRIA1PTGS2PTGS1CA9CA12
SCHEMBL7218068 0.86 PLAU (0.46) PTGS2PTGS1CHRNA7CA9CA12
SCHEMBL7222297 0.82 PTGS1 (0.44) GRIA1PTGS2PTGS1CA9CA12
SCHEMBL7217037 0.80 ROCK2 (0.49) GRIA1PTGS2PTGS1CHRNA7CA9
SCHEMBL7222428 0.78 GAA (0.55) PTGS2PTGS1CA9CA12CA2
SCHEMBL7215876 0.77 GAA (0.47) GRIA1PTGS2PTGS1CA9CA12
SCHEMBL12781448 0.77 MEN1 (0.43) GRIA1
SCHEMBL7218478 0.77 PTGS2 (0.60) GRIA1PTGS2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1104762-B1 SUBSTITUTED IMIDAZO[1,2A]AZINES AS SELECTIVE INHIBITORS OF COX-2 S A L V A T LAB SA (ES) 2002-09-18 EP claimed
EP-1104762-A1 SUBSTITUTED IMIDAZO 1,2A]AZINES AS SELECTIVE INHIBOTORS OF COX-2 LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2001-06-06 EP claimed
US-6670365-B1 Treatment of inflamation and/or cyclooxygenase-mediated diseases, reduced ulcerogenic effects; 2-phenyl-3-(4-methylsulfonylphenyl)imidazo(1,2-a)pyrimidine LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2003-12-30 US disclosed
EP-1104762-B1 SUBSTITUTED IMIDAZO[1,2A]AZINES AS SELECTIVE INHIBITORS OF COX-2 S A L V A T LAB SA (ES) 2002-09-18 EP disclosed
EP-1104762-A1 SUBSTITUTED IMIDAZO 1,2A]AZINES AS SELECTIVE INHIBOTORS OF COX-2 LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2001-06-06 EP disclosed