SCHEMBL5375440

SCHEMBL5375440

CCc1cc(-c2cc(=O)[nH]c(CCCc3ccccc3)n2)ccn1

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.69
SMN1; SMN2 Q16637 2/20 0.53
GPR84 Q9NQS5 3/20 0.42
HCAR2 Q8TDS4 4/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
BACE1 P56817 1/20 0.41

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
SCHEMBL5383593 0.84 GSK3B (0.72) GSK3BSMN1; SMN2GPR84HCAR2KMT2A
SCHEMBL5382157 0.83 GSK3B (0.68) GSK3BSMN1; SMN2GPR84HCAR2ALDH1A1
SCHEMBL5375436 0.82 GSK3B (0.48) GSK3BGPR84HCAR2
SCHEMBL5387930 0.82 GSK3B (1.00) GSK3BSMN1; SMN2GPR84KMT2A
SCHEMBL5386069 0.77 GSK3B (0.69) GSK3BSMN1; SMN2GPR84HCAR2BACE1
SCHEMBL5390685 0.74 GSK3B (1.00) GSK3BSMN1; SMN2KMT2ABACE1
SCHEMBL25403779 0.73 NOS3 (0.44) SMN1; SMN2HPGD
SCHEMBL5659777 0.71 SMN1; SMN2 (1.00) GSK3BSMN1; SMN2ALDH1A1KMT2A
SCHEMBL5386254 0.71 GSK3B (1.00) GSK3BSMN1; SMN2GPR84
SCHEMBL5390578 0.70 GSK3B (0.67) GSK3BSMN1; SMN2GPR84HCAR2KMT2A

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