SCHEMBL7215376

SCHEMBL7215376

COc1ccc(-c2nc3ncccn3c2-c2ccc(S(N)(=O)=O)cc2)cc1F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 0.53
PTGS1 P23219 14/20 0.53
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ABCB11 O95342 1/20 0.46
KLK7 P49862 1/20 0.45
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

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
SCHEMBL7220911 0.91 PTGS2 (0.50) PTGS2PTGS1ALDH1A1KDM4ENPC1
SCHEMBL7221387 0.84 PTGS2 (0.60) PTGS2PTGS1ALDH1A1ABCB11CDK2
SCHEMBL7222717 0.83 KDM4E (0.59) PTGS2PTGS1ALDH1A1KDM4ENPC1
SCHEMBL7217037 0.83 ROCK2 (0.49) PTGS2PTGS1KDM4EKLK7
SCHEMBL7215327 0.82 AKT1 (0.49) PTGS2PTGS1ALDH1A1KDM4EGLA
SCHEMBL7221442 0.82 ROCK2 (0.46) PTGS2ALDH1A1KDM4ENPC1GAA
SCHEMBL5260974 0.82 PTGS2 (0.52) PTGS2PTGS1ALDH1A1KDM4ENPC1
SCHEMBL5266278 0.81 KDM4E (0.46) PTGS2PTGS1ALDH1A1KDM4ENPC1
SCHEMBL23407614 0.81 ALDH1A1 (0.52) ALDH1A1KDM4ENPC1GLAGAA
SCHEMBL29620837 0.81 ALDH1A1 (0.52) ALDH1A1KDM4ENPC1GLAGAA

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