SCHEMBL7220519

SCHEMBL7220519

CS(=O)(=O)c1ccc(-c2c(-c3ccc(Cl)cc3)nc3ncccn23)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
GLA P06280 1/20 0.59
GAA P10253 1/20 0.59
RAB9A P51151 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
PTGS2 P35354 11/20 0.57
NR1I3 Q14994 1/20 0.48
GPBAR1 Q8TDU6 1/20 0.47
AKT1 P31749 1/20 0.47
AKT2 P31751 1/20 0.47
EPHB2 P29323 1/20 0.46
PTGS1 P23219 2/20 0.46
ROCK2 O75116 1/20 0.45
PIM1 P11309 1/20 0.45
GSK3B P49841 1/20 0.45
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43

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
SCHEMBL5261561 1.00 KDM4E (0.59) KDM4EALDH1A1GLAGAARAB9A
SCHEMBL5263797 0.90 PTGS2 (0.60) KDM4EALDH1A1GAAPTGS2AKT1
SCHEMBL7221448 0.90 PTGS2 (0.60) KDM4EALDH1A1GAAPTGS2AKT1
SCHEMBL7218013 0.89 PTGS2 (0.50) KDM4EALDH1A1GLAGAARAB9A
SCHEMBL5261262 0.88 PTGS2 (0.60) PTGS2GPBAR1AKT1AKT2PTGS1
SCHEMBL7220425 0.88 PTGS2 (0.49) KDM4EALDH1A1GLAGAARAB9A
SCHEMBL7217077 0.88 PTGS2 (0.60) PTGS2GPBAR1AKT1AKT2PTGS1
SCHEMBL7215555 0.86 KDM4E (0.60) KDM4EALDH1A1GLAGAARAB9A
SCHEMBL5262417 0.85 KLK7 (0.59) KDM4EALDH1A1GLAGAARAB9A
SCHEMBL7214573 0.84 PTGS2 (0.51) KDM4EALDH1A1GAARAB9APTGS2

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