SCHEMBL5386067

SCHEMBL5386067

O=c1cc(-c2ccccn2)[nH]c(CCCc2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.51
HCAR2 Q8TDS4 5/20 0.49
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
DAO P14920 1/20 0.44
CES1 P23141 3/20 0.40
CCNB2 O95067 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
CCNB3 Q8WWL7 1/20 0.40
FAAH O00519 2/20 0.39
NCEH1 Q6PIU2 1/20 0.39
DAGLA Q9Y4D2 1/20 0.39

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
SCHEMBL5386069 0.81 GSK3B (0.69) GSK3BHCAR2NPC1RAB9ASMN1; SMN2
SCHEMBL5387928 0.81 GSK3B (0.65) GSK3BHCAR2DAO
SCHEMBL5383591 0.78 GSK3B (0.50) GSK3BHCAR2DAO
SCHEMBL5375436 0.76 GSK3B (0.48) GSK3BHCAR2DAOCDK5CDK5R1
SCHEMBL5382154 0.76 GSK3B (0.47) GSK3BHCAR2DAO
SCHEMBL5390574 0.75 GSK3B (0.49) GSK3BHCAR2DAO
SCHEMBL9846300 0.73 NPC1 (0.55) GSK3BNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5390769 0.72 NPY5R (0.53) GSK3BNPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL5390682 0.72 GSK3B (0.64) GSK3BNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10838008 0.69 KDM4E (0.50) GSK3BNPC1RAB9ASMN1; SMN2KDM4E

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