SCHEMBL6310302

SCHEMBL6310302

COc1ccc(OC)c(C=Cc2nc3ccccc3c(=O)n2CCCN)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.54
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
RXRA P19793 1/20 0.49
KDM4E B2RXH2 3/20 0.48
NPY1R P25929 1/20 0.48
HTT P42858 1/20 0.48
NPY2R P49146 1/20 0.48
TP53 P04637 2/20 0.48
GAA P10253 1/20 0.47
TLR9 Q9NR96 1/20 0.46
MAPK1 P28482 1/20 0.46
NPC1 O15118 1/20 0.46
GUSB P08236 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45

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
SCHEMBL6310295 1.00 LMNA (0.54) LMNAMEN1KMT2ARXRAKDM4E
SCHEMBL6306831 0.93 LMNA (0.45) LMNAMEN1KMT2ARXRAKDM4E
SCHEMBL6306834 0.93 LMNA (0.45) LMNAMEN1KMT2ARXRAKDM4E
SCHEMBL6310555 0.90 LMNA (0.42) LMNAMEN1KMT2ARXRAKDM4E
SCHEMBL6310557 0.90 LMNA (0.42) LMNAMEN1KMT2ARXRAKDM4E
SCHEMBL6314044 0.89 MAPT (0.44) LMNAKDM4ETP53SMN1; SMN2ALDH1A1
SCHEMBL6314046 0.89 MAPT (0.44) LMNAKDM4ETP53SMN1; SMN2ALDH1A1
SCHEMBL6309679 0.84 MEN1 (0.55) LMNAMEN1KMT2ARXRAKDM4E
SCHEMBL6309674 0.84 MEN1 (0.55) LMNAMEN1KMT2ARXRAKDM4E
SCHEMBL6315968 0.83 ALDH1A1 (0.54) LMNAMEN1KMT2AKDM4ENPY1R

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