SCHEMBL7215876

SCHEMBL7215876

NS(=O)(=O)c1ccc(-c2c(-c3ccccc3Cl)nc3cnccn23)cc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
PTGS2 P35354 9/20 0.44
PTGS1 P23219 7/20 0.44
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
CA9 Q16790 3/20 0.40
CA12 O43570 2/20 0.40
GRIA1 P42261 1/20 0.40
BRAF P15056 1/20 0.39
TTK P33981 1/20 0.37

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
SCHEMBL7222297 0.87 PTGS1 (0.44) GAACA1CA2PTGS2PTGS1
SCHEMBL7221568 0.85 GRIA1 (0.53) GAACA1CA2PTGS2PTGS1
SCHEMBL7221055 0.80 GRIA1 (0.54) GAAPTGS2PTGS1GRIA1
SCHEMBL7220557 0.79 CA1 (0.46) GAACA1CA2PTGS2PTGS1
SCHEMBL7216663 0.77 CA1 (0.46) GAACA1CA2PTGS2PTGS1
SCHEMBL7216642 0.77 GRIA1 (0.46) CA1CA2PTGS2PTGS1CA9
SCHEMBL7222428 0.77 GAA (0.55) GAACA1CA2PTGS2PTGS1
SCHEMBL7221208 0.74 PTGS2 (0.59) GAAPTGS2PTGS1GRIA1BRAF
SCHEMBL7217043 0.73 CA1 (0.55) CA1CA2PTGS2PTGS1MAPT
SCHEMBL7222129 0.73 HSP90AA1 (0.48) CA1CA2PTGS2PTGS1CA9

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