SCHEMBL7216663

SCHEMBL7216663

Cc1cccc(-c2nc3cnccn3c2-c2ccc(S(N)(=O)=O)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
PTGS2 P35354 5/20 0.44
PTGS1 P23219 4/20 0.44
GRIA1 P42261 2/20 0.44
CA5A P35218 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
CA9 Q16790 3/20 0.42
CA12 O43570 2/20 0.42
GAA P10253 5/20 0.40
KDM4E B2RXH2 3/20 0.40
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 4/20 0.40
MAPK14 Q16539 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
AKT1 P31749 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
SCHEMBL7216642 0.87 GRIA1 (0.46) CA1CA2PTGS2PTGS1GRIA1
SCHEMBL7221568 0.87 GRIA1 (0.53) CA1CA2PTGS2PTGS1GRIA1
SCHEMBL7222063 0.86 CA2 (0.49) CA1CA2PTGS2PTGS1CA5A
SCHEMBL7221055 0.81 GRIA1 (0.54) PTGS2PTGS1GRIA1GAAKDM4E
SCHEMBL7222428 0.81 GAA (0.55) CA1CA2PTGS2PTGS1CA9
SCHEMBL7221208 0.78 PTGS2 (0.59) PTGS2PTGS1GRIA1GAAKDM4E
SCHEMBL7222297 0.77 PTGS1 (0.44) CA1CA2PTGS2PTGS1GRIA1
SCHEMBL7215876 0.77 GAA (0.47) CA1CA2PTGS2PTGS1GRIA1
SCHEMBL7218068 0.73 PLAU (0.46) CA1CA2PTGS2PTGS1CA9
SCHEMBL7218478 0.72 PTGS2 (0.60) PTGS2PTGS1GRIA1GAAKDM4E

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