SCHEMBL5390769

SCHEMBL5390769

O=c1cc(-c2ccccn2)[nH]c(-c2ccccc2)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 2/20 0.53
NPC1 O15118 5/20 0.51
RAB9A P51151 5/20 0.51
SMN1; SMN2 Q16637 5/20 0.51
ALDH1A1 P00352 3/20 0.51
LMNA P02545 3/20 0.51
KDM4E B2RXH2 2/20 0.51
HPGD P15428 1/20 0.51
HPGDS O60760 3/20 0.50
HTT P42858 3/20 0.46
MAPT P10636 3/20 0.46
OPRK1 P41145 1/20 0.46
PAX8 Q06710 1/20 0.46
GSK3B P49841 2/20 0.46
GAA P10253 2/20 0.46
HIF1A Q16665 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CCNB2 O95067 1/20 0.45
CDK1 P06493 1/20 0.45
CCNB1 P14635 1/20 0.45

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
SCHEMBL9846300 0.89 NPC1 (0.55) NPY5RNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19665231 0.82 HPGD (0.53) NPY5RNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5396521 0.79 KDM4E (0.50) NPY5RNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5381545 0.78 CDC7 (0.59) NPY5RALDH1A1KDM4EHPGDHPGDS
SCHEMBL31074765 0.78 SCN2A (0.49) NPY5RNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5390774 0.77 GSK3B (0.66) NPY5RNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5384453 0.76 CYP19A1 (0.59) NPY5RNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10838008 0.75 KDM4E (0.50) NPY5RNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28681344 0.74 SMN1; SMN2 (0.53) NPY5RNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL9846148 0.73 BTK (0.46) NPY5RNPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256199-B1 Pyrimidone derivatives MITSUBISHI CHEMICAL CORPORATION (JP) 2007-08-14 US disclosed
EP-1115721-B1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEM CORP (JP) 2003-12-10 EP disclosed
EP-1115721-A1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 2001-07-18 EP disclosed
WO-2000018758-A1 PYRIMIDONE DERIVATIVES MITSUBISHI CHEMICAL CORPORATION (JP) 2000-04-06 WO disclosed