SCHEMBL7846153

SCHEMBL7846153

c1cnc(-c2cc3ccc4ncccc4c3[nH]2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.47
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.46
CYP19A1 P11511 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 3/20 0.39
MEN1 O00255 2/20 0.39
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39
KMT2A Q03164 2/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
ACVR1 Q04771 1/20 0.36
MET P08581 1/20 0.35
ALDH1A1 P00352 4/20 0.35
CASP1 P29466 2/20 0.35

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
SCHEMBL30538321 0.92 MAPT (0.52) CYP3A4MAPTKDM4ELMNACYP19A1
SCHEMBL10978833 0.84 CYP19A1 (0.58) CYP3A4MAPTKDM4ELMNACYP19A1
SCHEMBL7354479 0.81 CYP3A4 (0.41) CYP3A4MAPTKDM4ELMNACYP19A1
SCHEMBL31661367 0.79 CYP3A4 (0.49) CYP3A4MAPTKDM4ELMNACYP19A1
SCHEMBL27085550 0.79 CYP3A4 (0.49) CYP3A4MAPTKDM4ELMNACYP19A1
SCHEMBL4464552 0.77 MAPT (0.50) CYP3A4MAPTKDM4ELMNASMN1; SMN2
SCHEMBL11219318 0.74 HSD17B10 (0.63) CYP3A4MAPTKDM4ELMNACYP19A1
SCHEMBL28718999 0.73 MAPT (0.50) CYP3A4MAPTKDM4ELMNACYP19A1
SCHEMBL28354104 0.72 KDM5A (0.47) CYP3A4MAPTKDM4ELMNACYP19A1
SCHEMBL1982985 0.71 CYP3A4 (0.47) CYP3A4MAPTKDM4ELMNASMN1; SMN2

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