SCHEMBL7218013

SCHEMBL7218013

Cc1ccc(-c2nc3ncccn3c2-c2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 12/20 0.50
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP1A2 P05177 1/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
AKT1 P31749 1/20 0.47
AKT2 P31751 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
PTGS1 P23219 1/20 0.46
ROCK2 O75116 1/20 0.46
PIM1 P11309 1/20 0.46
GSK3B P49841 1/20 0.46
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL5263797 0.91 PTGS2 (0.60) PTGS2ALDH1A1KDM4EHPGDAKT1
SCHEMBL7221448 0.91 PTGS2 (0.60) PTGS2ALDH1A1KDM4EHPGDAKT1
SCHEMBL5261561 0.89 KDM4E (0.59) PTGS2ALDH1A1KDM4EAKT1AKT2
SCHEMBL5261262 0.89 PTGS2 (0.60) PTGS2AKT1AKT2PTGS1
SCHEMBL7220427 0.89 AKT1 (0.49) PTGS2ALDH1A1KDM4ECYP1A2HPGD
SCHEMBL7220425 0.89 PTGS2 (0.49) PTGS2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL7217077 0.89 PTGS2 (0.60) PTGS2AKT1AKT2PTGS1
SCHEMBL7220519 0.89 KDM4E (0.59) PTGS2ALDH1A1KDM4EAKT1AKT2
SCHEMBL7215555 0.87 KDM4E (0.60) PTGS2ALDH1A1KDM4EAKT1AKT2
SCHEMBL7217178 0.87 ROCK2 (0.48) PTGS2HPGDAKT1AKT2MAPT

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