SCHEMBL7217007

SCHEMBL7217007

COc1ccc(-c2nc3cnccn3c2-c2ccc(S(C)(=O)=O)cc2)cc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 11/20 0.52
GAA P10253 4/20 0.46
MAPT P10636 4/20 0.46
TP53 P04637 2/20 0.46
PTGS1 P23219 2/20 0.45
TUBB4A P04350 3/20 0.44
TUBB P07437 3/20 0.44
TUBA3C P0DPH7 3/20 0.44
TUBA1B P68363 3/20 0.44
TUBA4A P68366 3/20 0.44
TUBB4B P68371 3/20 0.44
TUBB3 Q13509 3/20 0.44
TUBB2A Q13885 3/20 0.44
TUBB8 Q3ZCM7 3/20 0.44
TUBA3E Q6PEY2 3/20 0.44
TUBA1A Q71U36 3/20 0.44
TUBA1C Q9BQE3 3/20 0.44
TUBB6 Q9BUF5 3/20 0.44
TUBB2B Q9BVA1 3/20 0.44
TUBB1 Q9H4B7 3/20 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
SCHEMBL7215562 0.88 PTGS2 (0.50) PTGS2GAAMAPTTP53PTGS1
SCHEMBL7216393 0.86 PTGS2 (0.60) PTGS2GAAMAPTPTGS1POLB
SCHEMBL7216301 0.83 GAA (0.56) PTGS2GAAMAPTPTGS1TUBB4A
SCHEMBL7216261 0.80 PTGS2 (0.52) PTGS2PTGS1TUBB4ATUBBTUBA3C
SCHEMBL7221208 0.80 PTGS2 (0.59) PTGS2GAAPTGS1KDM4ELMNA
SCHEMBL7218478 0.79 PTGS2 (0.60) PTGS2GAAPTGS1TUBB4ATUBB
SCHEMBL7218017 0.77 PTGS2 (0.60) PTGS2GAAMAPTPTGS1TUBB4A
SCHEMBL5267147 0.76 PTGS2 (0.54) PTGS2GAAPTGS1KDM4EALDH1A1
SCHEMBL7546647 0.76 PTGS2 (0.53) PTGS2GAAMAPTTP53TUBB4A
SCHEMBL7222366 0.75 PTGS2 (0.53) PTGS2GAAMAPTTUBB4ATUBB

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 3 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 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