SCHEMBL7852033

SCHEMBL7852033

c1cnc(-c2cc3ncccc3o2)nc1.c1cnc(-c2nccc3ccccc23)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 5/20 0.44
CYP3A4 P08684 2/20 0.40
PDE4D Q08499 1/20 0.39
KDM4E B2RXH2 5/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
GPR55 Q9Y2T6 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CYP19A1 P11511 1/20 0.39
MAPT P10636 4/20 0.37
ALDH1A1 P00352 4/20 0.37
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
GAA P10253 1/20 0.37
AHR P35869 1/20 0.37

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
SCHEMBL7848655 0.81 CHRM2 (0.51) GRM4KDM4ENPC1RAB9ACHRM2
SCHEMBL28428414 0.73 CHRM2 (0.55) GRM4KDM4ENPC1RAB9ACHRM2
SCHEMBL17687570 0.71 CYP19A1 (0.64) GRM4PDE4DKDM4ENPC1RAB9A
SCHEMBL28061939 0.70 NPC1 (0.56) CYP3A4KDM4ENPC1RAB9AL3MBTL1
SCHEMBL27835461 0.70 TNKS (0.54) CYP3A4KDM4ENPC1RAB9ACYP19A1
SCHEMBL9430009 0.69 CYP1B1 (0.50) GRM4CYP3A4KDM4ENPC1RAB9A
SCHEMBL13067678 0.68 NPC1 (0.54) KDM4ENPC1RAB9AL3MBTL1GPR55
SCHEMBL24776300 0.67 KDM4E (0.54) GRM4KDM4ENPC1RAB9AL3MBTL1
SCHEMBL25461188 0.67 NPC1 (0.46) CYP3A4KDM4ENPC1RAB9AL3MBTL1
SCHEMBL29923403 0.67 PLAU (0.60) CYP3A4KDM4ENPC1RAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1136493-A1 2-(Thienopyridinyl)pyrimidone, 2-(furopyridinyl)pyrimidone 2-(isoquinolinyl)pyrimidone, 2-(pyridoindolyl)pyrimidone and 2-(benzofuropyridinyl)pyrimidone derivatives SANOFI-SYNTHELABO (FR) 2001-09-26 EP disclosed