SCHEMBL5877127

SCHEMBL5877127

COc1ccc2nc(C=Cc3ccc(N(C)C)cc3)n(CC3CCCC(CN)C3)c(=O)c2c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ABCC1 P33527 1/20 0.41
MAOA P21397 2/20 0.41
MAOB P27338 2/20 0.41
BLM P54132 2/20 0.39
MAPT P10636 1/20 0.38
TP53 P04637 1/20 0.36
APP P05067 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2D6 P10635 1/20 0.36
KCNH2 Q12809 1/20 0.36
GHSR Q92847 1/20 0.36

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
SCHEMBL5877121 1.00 MEN1 (0.45) MEN1KMT2AABCC1MAOAMAOB
SCHEMBL5878166 0.91 KDM4E (0.45) MEN1KMT2AMAPTTP53KDM4E
SCHEMBL5878162 0.91 KDM4E (0.45) MEN1KMT2AMAPTTP53KDM4E
SCHEMBL7487486 0.89 MEN1 (0.47) MEN1KMT2AABCC1BLMMAPT
SCHEMBL7487482 0.89 MEN1 (0.47) MEN1KMT2AABCC1BLMMAPT
SCHEMBL5878075 0.88 MEN1 (0.47) MEN1KMT2AABCC1BLMMAPT
SCHEMBL5878078 0.88 MEN1 (0.47) MEN1KMT2AABCC1BLMMAPT
SCHEMBL5878248 0.86 MEN1 (0.61) MEN1KMT2AABCC1MAPTKDM4E
SCHEMBL5878243 0.86 MEN1 (0.61) MEN1KMT2AABCC1MAPTKDM4E
SCHEMBL5877223 0.85 LMNA (0.39) MEN1KMT2AMAPTTP53KDM4E

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
US-7060706-B1 Quinazolinones 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2006-06-13 US disclosed
EP-1216233-A1 QUINAZOLINONES MERCK PATENT GmbH (DE) 2002-06-26 EP disclosed
WO-2001023364-A1 QUINAZOLINONES MERCK PATENT GMBH (DE) 2001-04-05 WO disclosed