SCHEMBL7216630

SCHEMBL7216630

COc1ccc(-c2nc3ncccn3c2-c2ccc(S(C)(=O)=O)cc2)cc1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.50
ROCK2 O75116 1/20 0.45
PIM1 P11309 1/20 0.45
GSK3B P49841 1/20 0.45
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
TUBB4A P04350 1/20 0.44
TUBB P07437 1/20 0.44
TUBA3C P0DPH7 1/20 0.44
TUBA1B P68363 1/20 0.44
TUBA4A P68366 1/20 0.44
TUBB4B P68371 1/20 0.44
TUBB3 Q13509 1/20 0.44
TUBB2A Q13885 1/20 0.44
TUBB8 Q3ZCM7 1/20 0.44
TUBA3E Q6PEY2 1/20 0.44
TUBA1A Q71U36 1/20 0.44
TUBA1C Q9BQE3 1/20 0.44
TUBB6 Q9BUF5 1/20 0.44
TUBB2B Q9BVA1 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
SCHEMBL7221442 0.93 ROCK2 (0.46) PTGS2ROCK2PIM1GSK3BGAA
SCHEMBL7220911 0.90 PTGS2 (0.50) PTGS2ROCK2PIM1GSK3BGAA
SCHEMBL7216261 0.90 PTGS2 (0.52) PTGS2ROCK2PIM1GSK3BTUBB4A
SCHEMBL7217178 0.89 ROCK2 (0.48) PTGS2ROCK2PIM1GSK3BGAA
SCHEMBL5267147 0.86 PTGS2 (0.54) PTGS2GAAKDM4EALDH1A1NPC1
SCHEMBL7215555 0.85 KDM4E (0.60) PTGS2GAATUBB4ATUBBTUBA3C
SCHEMBL7218013 0.83 PTGS2 (0.50) PTGS2ROCK2PIM1GSK3BGAA
SCHEMBL7222366 0.83 PTGS2 (0.53) PTGS2GAAMAPTTUBB4ATUBB
SCHEMBL5263866 0.83 MAPT (0.53) PTGS2ROCK2PIM1GSK3BGAA
SCHEMBL5263797 0.82 PTGS2 (0.60) PTGS2ROCK2PIM1GSK3BGAA

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
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-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