SCHEMBL7222297

SCHEMBL7222297

NS(=O)(=O)c1ccc(-c2c(-c3ccccc3F)nc3cnccn23)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 9/20 0.44
PTGS2 P35354 9/20 0.44
CA9 Q16790 4/20 0.40
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
GRIA1 P42261 3/20 0.40
SCD O00767 1/20 0.40
ADORA2A P29274 1/20 0.38
GAA P10253 2/20 0.36
MAPT P10636 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL7215876 0.87 GAA (0.47) PTGS1PTGS2CA9CA12CA1
SCHEMBL7222129 0.86 HSP90AA1 (0.48) PTGS1PTGS2CA9CA12CA1
SCHEMBL7221568 0.85 GRIA1 (0.53) PTGS1PTGS2CA9CA12CA1
SCHEMBL7221055 0.84 GRIA1 (0.54) PTGS1PTGS2GRIA1GAAMAPK1
SCHEMBL7216642 0.82 GRIA1 (0.46) PTGS1PTGS2CA9CA12CA1
SCHEMBL7216663 0.77 CA1 (0.46) PTGS1PTGS2CA9CA12CA1
SCHEMBL7222428 0.77 GAA (0.55) PTGS1PTGS2CA9CA12CA1
SCHEMBL7221208 0.74 PTGS2 (0.59) PTGS1PTGS2GRIA1GAAMAPK1
SCHEMBL7217043 0.73 CA1 (0.55) PTGS1PTGS2CA9CA12CA1
SCHEMBL7218478 0.73 PTGS2 (0.60) PTGS1PTGS2GRIA1GAAMAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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