SCHEMBL6200141

SCHEMBL6200141

COC(=O)C1=CN=C(OC)N(C)C1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ADORA3 P0DMS8 1/20 0.42
NPEPPS P55786 1/20 0.40
POLB P06746 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
SLC6A3 Q01959 2/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL6200742 0.72 ADRA1A (0.36) MEN1KMT2AADORA3POLBMAPT
SCHEMBL6200139 0.68 ADORA3 (0.46) MEN1KMT2AADORA3POLBSLC6A3
SCHEMBL6199441 0.68 MEN1 (0.44) MEN1KMT2AADORA3NPEPPSCRHBP
SCHEMBL8440174 0.65 TSHR (0.61) MEN1KMT2AADORA3MAPT
SCHEMBL7160123 0.64 ADORA3 (0.85) MEN1KMT2AADORA3POLBMAPT
SCHEMBL306161 0.64 POLB (0.81) MEN1KMT2APOLBALDH1A1PKM
Iodide SCHEMBL22235392 0.63 POLB (0.78) MEN1KMT2APOLBALDH1A1PKM
SCHEMBL6196597 0.61 ADORA3 (0.48) MEN1KMT2AADORA3NPEPPSPOLB
SCHEMBL9064391 0.61 ADORA3 (0.78) MEN1KMT2AADORA3POLBMAPT
SCHEMBL7160127 0.61 ADORA3 (0.78) MEN1KMT2AADORA3POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1021185-A4 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2005-09-07 EP disclosed
EP-1021185-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-07-26 EP disclosed
WO-1997042956-A1 DIDHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1997-11-20 WO disclosed