SCHEMBL7487482

SCHEMBL7487482

Cc1ccc2nc(/C=C/c3ccc(N(C)C)cc3)n(CC3CCCC(CN)C3)c(=O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ABCC1 P33527 1/20 0.44
MAPT P10636 1/20 0.41
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EGFR P00533 1/20 0.39
BLM P54132 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.37
ALOX5 P09917 1/20 0.37
GFER P55789 1/20 0.36
DHFR P00374 1/20 0.36
USP2 O75604 1/20 0.36
TLR9 Q9NR96 1/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPC1 O15118 1/20 0.33

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
SCHEMBL7487486 1.00 MEN1 (0.47) MEN1KMT2AABCC1MAPTKDM4E
SCHEMBL5878075 0.91 MEN1 (0.47) MEN1KMT2AABCC1MAPTKDM4E
SCHEMBL5878078 0.91 MEN1 (0.47) MEN1KMT2AABCC1MAPTKDM4E
SCHEMBL5877668 0.90 KDM4E (0.47) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL5877665 0.90 KDM4E (0.47) MEN1KMT2AMAPTKDM4ELMNA
SCHEMBL5877127 0.89 MEN1 (0.45) MEN1KMT2AABCC1MAPTKDM4E
SCHEMBL5877121 0.89 MEN1 (0.45) MEN1KMT2AABCC1MAPTKDM4E
SCHEMBL5878243 0.89 MEN1 (0.61) MEN1KMT2AABCC1MAPTKDM4E
SCHEMBL5878248 0.89 MEN1 (0.61) MEN1KMT2AABCC1MAPTKDM4E
SCHEMBL5877452 0.85 MEN1 (0.47) MEN1KMT2AABCC1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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