SCHEMBL7218017

SCHEMBL7218017

COc1ccc(-c2nc3ccccn3c2-c2ccc(S(N)(=O)=O)cc2)cc1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 14/20 0.60
PTGS1 P23219 11/20 0.60
NR1I3 Q14994 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
USP7 Q93009 1/20 0.43
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 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
SCHEMBL7216393 0.91 PTGS2 (0.60) PTGS2PTGS1NR1I3KDM4EMEN1
SCHEMBL7222378 0.90 PTGS2 (0.50) PTGS2PTGS1NR1I3KDM4EALDH1A1
SCHEMBL7221387 0.88 PTGS2 (0.60) PTGS2PTGS1ALDH1A1
SCHEMBL7218447 0.83 USP7 (0.60) PTGS2PTGS1NR1I3KDM4EALDH1A1
SCHEMBL7546647 0.81 PTGS2 (0.53) PTGS2NR1I3KDM4EALDH1A1GAA
SCHEMBL7222366 0.80 PTGS2 (0.53) PTGS2NR1I3KDM4EALDH1A1GAA
SCHEMBL7218261 0.80 AKT1 (0.57) PTGS2PTGS1NPC1RAB9AUSP7
SCHEMBL7222063 0.80 CA2 (0.49) PTGS2PTGS1KDM4EMEN1ALDH1A1
SCHEMBL7217176 0.78 PTGS2 (0.50) PTGS2PTGS1NR1I3MEN1ALDH1A1
SCHEMBL7216551 0.78 PTGS2 (0.52) PTGS2PTGS1NR1I3

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
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