SCHEMBL5877456

SCHEMBL5877456

CN(C)c1ccc(C=Cc2nc3cc(Cl)ccc3c(=O)n2CC2CCCC(CN)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ABCC1 P33527 2/20 0.42
ALOX5 P09917 1/20 0.42
BLM P54132 1/20 0.40
MAPT P10636 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
APP P05067 2/20 0.36
GFER P55789 1/20 0.36
EGFR P00533 1/20 0.36
USP2 O75604 1/20 0.35
TLR9 Q9NR96 1/20 0.35
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL5877452 1.00 MEN1 (0.47) MEN1KMT2AABCC1ALOX5BLM
SCHEMBL5878078 0.93 MEN1 (0.47) MEN1KMT2AABCC1ALOX5BLM
SCHEMBL5878075 0.93 MEN1 (0.47) MEN1KMT2AABCC1ALOX5BLM
SCHEMBL5878063 0.89 KDM4E (0.47) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL5878060 0.89 KDM4E (0.47) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL5878248 0.88 MEN1 (0.61) MEN1KMT2AABCC1MAPTNPC1
SCHEMBL5878243 0.88 MEN1 (0.61) MEN1KMT2AABCC1MAPTNPC1
SCHEMBL7487482 0.85 MEN1 (0.47) MEN1KMT2AABCC1ALOX5BLM
SCHEMBL7487486 0.85 MEN1 (0.47) MEN1KMT2AABCC1ALOX5BLM
SCHEMBL5877121 0.83 MEN1 (0.45) MEN1KMT2AABCC1BLMMAPT

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