SCHEMBL5878243

SCHEMBL5878243

CN(C)c1ccc(/C=C/c2nc3ccccc3c(=O)n2CC2CCCC(CN)C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.61
KMT2A Q03164 7/20 0.61
ABCC1 P33527 1/20 0.55
MAPT P10636 2/20 0.52
KDM4E B2RXH2 3/20 0.51
MAPK1 P28482 2/20 0.51
GFER P55789 1/20 0.48
USP2 O75604 1/20 0.47
TLR9 Q9NR96 1/20 0.47
LMNA P02545 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.44
PLA2G1B P04054 1/20 0.44
ATG4B Q9Y4P1 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
KLF5 Q13887 1/20 0.43
RXFP1 Q9HBX9 1/20 0.41

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
SCHEMBL5878248 1.00 MEN1 (0.61) MEN1KMT2AABCC1MAPTKDM4E
SCHEMBL5877289 0.91 KDM4E (0.59) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL5877288 0.91 KDM4E (0.59) MEN1KMT2AMAPTKDM4EMAPK1
SCHEMBL7487486 0.89 MEN1 (0.47) MEN1KMT2AABCC1MAPTKDM4E
SCHEMBL7487482 0.89 MEN1 (0.47) MEN1KMT2AABCC1MAPTKDM4E
SCHEMBL5877452 0.88 MEN1 (0.47) MEN1KMT2AABCC1MAPTKDM4E
SCHEMBL5877456 0.88 MEN1 (0.47) MEN1KMT2AABCC1MAPTKDM4E
SCHEMBL5878075 0.88 MEN1 (0.47) MEN1KMT2AABCC1MAPTKDM4E
SCHEMBL5878078 0.88 MEN1 (0.47) MEN1KMT2AABCC1MAPTKDM4E
SCHEMBL5877121 0.86 MEN1 (0.45) 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 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