SCHEMBL7104938

SCHEMBL7104938

CCCC(=O)Cn1cncn1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.50
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
FDPS P14324 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
SCHEMBL10900681 0.91 EGLN3 (0.49) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL7278106 0.88 EGLN3 (0.46) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL10365929 0.86 EGLN3 (0.45) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4291631 0.85 EGLN3 (0.48) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5899076 0.84 EGLN3 (0.55) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL22234971 0.77 EGLN3 (0.48) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL6656016 0.76 MEN1 (0.48) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL3240872 0.76 EGLN3 (0.44) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5746694 0.76
SCHEMBL10514858 0.74 EGLN3 (0.65) EGLN3CYP1A2CYP3A4CYP2D6CYP2C19

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-1343785-A2 USE OF SUBSTITUTED IMIDAZOAZINES, NOVEL IMIDAZOAZINES, METHODS FOR THE PRODUCTION THEREOF, AND AGENTS CONTAINING THESE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2003-09-17 EP disclosed
WO-2002048146-A2 USE OF SUBSTITUTED IMIDAZOAZINES, NOVEL IMIDAZOAZINES, METHODS FOR THE PRODUCTION THEREOF, AND AGENTS CONTAINING THESE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2002-06-20 WO disclosed
EP-0144033-A2 Substituted 5-cycloalkyl-2,2-dimethyl-pentan-3-one BAYER AG (DE) 1985-06-12 EP disclosed