SCHEMBL6308089

SCHEMBL6308089

CN(C)c1ccc(C=Cc2nc3ccccc3c(=O)n2CCCN)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.77
KMT2A Q03164 8/20 0.77
KDM4E B2RXH2 3/20 0.59
MAPK1 P28482 1/20 0.59
MAPT P10636 3/20 0.59
LMNA P02545 4/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 2/20 0.56
HTT P42858 1/20 0.56
GFER P55789 1/20 0.55
PLA2G1B P04054 1/20 0.55
ATG4B Q9Y4P1 1/20 0.55
USP2 O75604 1/20 0.52
TLR9 Q9NR96 1/20 0.52
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
POLB P06746 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
KLF5 Q13887 1/20 0.49

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
SCHEMBL6308082 1.00 MEN1 (0.77) MEN1KMT2AKDM4EMAPK1MAPT
SCHEMBL6315133 0.89 KMT2A (0.77) MEN1KMT2AKDM4EMAPK1MAPT
SCHEMBL6315127 0.89 KMT2A (0.77) MEN1KMT2AKDM4EMAPK1MAPT
SCHEMBL6314623 0.87 MEN1 (0.58) MEN1KMT2AKDM4EMAPK1MAPT
SCHEMBL6314628 0.87 MEN1 (0.58) MEN1KMT2AKDM4EMAPK1MAPT
SCHEMBL6309335 0.86 MEN1 (0.57) MEN1KMT2AKDM4EMAPK1MAPT
SCHEMBL6309356 0.86 MEN1 (0.57) MEN1KMT2AKDM4EMAPK1MAPT
SCHEMBL6309360 0.86 MEN1 (0.57) MEN1KMT2AKDM4EMAPK1MAPT
SCHEMBL6309338 0.86 MEN1 (0.57) MEN1KMT2AKDM4EMAPK1MAPT
SCHEMBL6306740 0.84 MEN1 (0.56) MEN1KMT2AKDM4EMAPK1MAPT

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-6890930-B1 Quinazolinones 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2005-05-10 US disclosed
EP-1216235-A1 QUINAZOLINONES MERCK PATENT GmbH (DE) 2002-06-26 EP disclosed
WO-2001023365-A1 QUINAZOLINONES MERCK PATENT GMBH (DE) 2001-04-05 WO disclosed