SCHEMBL7215879

SCHEMBL7215879

Cc1ccccc1-c1nc2ncccn2c1-c1ccc(S(N)(=O)=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 7/20 0.51
CA2 P00918 7/20 0.51
CA12 O43570 4/20 0.51
CA9 Q16790 4/20 0.51
GAA P10253 3/20 0.44
AKT1 P31749 2/20 0.44
AKT2 P31751 2/20 0.44
MAPT P10636 1/20 0.44
ROCK2 O75116 1/20 0.43
PIM1 P11309 1/20 0.43
GSK3B P49841 1/20 0.43
PTGS2 P35354 4/20 0.41
PTGS1 P23219 2/20 0.41
CA5A P35218 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CA4 P22748 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
SCHEMBL7220557 0.87 CA1 (0.46) CA1CA2CA12CA9GAA
SCHEMBL7220427 0.85 AKT1 (0.49) CA1CA2CA12CA9GAA
SCHEMBL7215540 0.85 AKT1 (0.60) CA1CA2CA12CA9GAA
SCHEMBL7217043 0.83 CA1 (0.55) CA1CA2CA12CA9AKT1
SCHEMBL5260680 0.81 AKT1 (0.49) CA1CA2CA12CA9GAA
SCHEMBL7215327 0.81 AKT1 (0.49) GAAAKT1AKT2ROCK2PIM1
SCHEMBL7222717 0.80 KDM4E (0.59) CA1CA2CA12CA9GAA
SCHEMBL7220640 0.77 ROCK2 (0.49) CA1CA2CA12CA9GAA
SCHEMBL7217037 0.77 ROCK2 (0.49) CA1CA2CA12CA9AKT1
SCHEMBL7221448 0.75 PTGS2 (0.60) GAAAKT1AKT2ROCK2PIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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