SCHEMBL7217176

SCHEMBL7217176

NS(=O)(=O)c1ccc(-c2c(-c3ccc(F)c(F)c3)nc3ccccn23)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.50
PTGS1 P23219 8/20 0.44
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
AKT1 P31749 1/20 0.43
AKT2 P31751 1/20 0.43
CDK4 P11802 1/20 0.41
CDK2 P24941 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
NR1I3 Q14994 1/20 0.41
USP7 Q93009 1/20 0.40
SOS1 Q07889 1/20 0.39

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
SCHEMBL7218068 0.87 PLAU (0.46) PTGS2PTGS1CA1CA2AKT1
SCHEMBL7221387 0.87 PTGS2 (0.60) PTGS2PTGS1CDK2ALDH1A1
SCHEMBL7222836 0.87 ALDH1A1 (0.54) PTGS2PTGS1CA1CA2AKT1
SCHEMBL7218261 0.85 AKT1 (0.57) PTGS2PTGS1CA1CA2AKT1
SCHEMBL7222129 0.85 HSP90AA1 (0.48) PTGS2PTGS1CA1CA2AKT1
SCHEMBL7222063 0.83 CA2 (0.49) PTGS2PTGS1CA1CA2AKT1
SCHEMBL7222378 0.80 PTGS2 (0.50) PTGS2PTGS1CDK4CDK2ALDH1A1
SCHEMBL7218447 0.79 USP7 (0.60) PTGS2PTGS1CA1CA2AKT1
SCHEMBL7218017 0.78 PTGS2 (0.60) PTGS2PTGS1ALDH1A1MEN1NPC1
SCHEMBL7217043 0.78 CA1 (0.55) PTGS2PTGS1CA1CA2AKT1

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