SCHEMBL7216221

SCHEMBL7216221

CCOc1ccc(-c2nc3ccc(Br)cn3c2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.48
AKT1 P31749 2/20 0.47
AKT2 P31751 2/20 0.47
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
BACE1 P56817 1/20 0.41
PTGS1 P23219 1/20 0.40

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
SCHEMBL7222132 0.88 PTGS2 (0.49) PTGS2AKT1AKT2KDM4E
SCHEMBL7215987 0.87 PTGS2 (0.53) PTGS2AKT1AKT2KDM4EMAPT
SCHEMBL7216602 0.83 PTGS2 (0.56) PTGS2AKT1AKT2KDM4ESMN1; SMN2
SCHEMBL7214573 0.75 PTGS2 (0.51) PTGS2AKT1AKT2KDM4EPTGS1
SCHEMBL14569174 0.71 CA12 (0.61) PTGS2MAPTSMN1; SMN2
SCHEMBL6746191 0.70 CA12 (0.68) PTGS2MAPTSMN1; SMN2
SCHEMBL7221860 0.70 PTGS2 (0.71) PTGS2KDM4ESMN1; SMN2PTGS1
SCHEMBL7220425 0.68 PTGS2 (0.49) PTGS2AKT1AKT2KDM4EMAPT
SCHEMBL7217160 0.67 PTGS2 (0.56) PTGS2AKT1AKT2KDM4ESMN1; SMN2
SCHEMBL7218055 0.67 PTGS2 (0.64) PTGS2AKT1AKT2PTGS1

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 4 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-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