SCHEMBL5382157

SCHEMBL5382157

COc1cc(-c2cc(=O)[nH]c(CCCc3ccccc3)n2)ccn1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.68
AKT1 P31749 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.46
PLA2G7 Q13093 1/20 0.46
IDO1 P14902 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
AAK1 Q2M2I8 1/20 0.41
HCAR2 Q8TDS4 4/20 0.41
GPR84 Q9NQS5 2/20 0.41
XDH P47989 1/20 0.40

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
SCHEMBL5375440 0.83 GSK3B (0.69) GSK3BSMN1; SMN2ALDH1A1KMT2AHCAR2
SCHEMBL5383593 0.83 GSK3B (0.72) GSK3BSMN1; SMN2MEN1KMT2AHCAR2
SCHEMBL5382154 0.83 GSK3B (0.47) GSK3BPLA2G7IDO1AAK1HCAR2
SCHEMBL5387930 0.81 GSK3B (1.00) GSK3BSMN1; SMN2MEN1KMT2AGPR84
SCHEMBL5386069 0.79 GSK3B (0.69) GSK3BSMN1; SMN2HCAR2GPR84
SCHEMBL5390685 0.74 GSK3B (1.00) GSK3BSMN1; SMN2MEN1KMT2AXDH
SCHEMBL5375238 0.72 GSK3B (0.60) GSK3BAKT1IDO1
SCHEMBL5390578 0.69 GSK3B (0.67) GSK3BSMN1; SMN2MEN1KMT2AHCAR2
SCHEMBL27111219 0.68 PIK3CA (0.48) IDO1AAK1
SCHEMBL5386254 0.67 GSK3B (1.00) GSK3BAKT1SMN1; SMN2MAPK1GPR84

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