SCHEMBL7214546

SCHEMBL7214546

OC(Cc1ccccc1)c1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.53
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
GRIN2B Q13224 1/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
SLC1A1 P43005 2/20 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
SCHEMBL31435827 0.91 SLC1A1 (0.49) CNR2MEN1KMT2AIDO1CES2
SCHEMBL30849676 0.84 CNR2 (0.49) CNR2MEN1KMT2AIDO1TDO2
SCHEMBL23021624 0.83 SLC6A2 (0.53) CNR2PPARGPPARAMEN1KMT2A
SCHEMBL7152593 0.82 ADRB2 (0.65) SLC6A2SLC6A4
SCHEMBL7152595 0.82 ADRB2 (0.65) SLC6A2SLC6A4
SCHEMBL27731739 0.80 SLC16A3 (0.60) CNR2MEN1KMT2A
SCHEMBL2291798 0.80 SLC16A3 (0.60) CNR2MEN1KMT2A
SCHEMBL2298340 0.80 SLC16A3 (0.60) CNR2MEN1KMT2A
SCHEMBL22785928 0.80 CA1 (0.47) CNR2IDO1TDO2GRIN2B
SCHEMBL28496558 0.80 CNR2 (0.48) CNR2PPARGPPARAMEN1KMT2A

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 disclosed
CN-1131865-C Substituted imidazo [1,2a ] azines as selective COX-2 inhibitors LABORATORIOS S.A.L.V.A.T., S.A. (ES) 2003-12-24 CN 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
CN-1321157-A Substd. imidazo [1,2] azines as selective inhibitors of COX-2 S A L V A T LAB SA (ES) 2001-11-07 CN 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