SCHEMBL5878481

SCHEMBL5878481

COc1ccc(OC)c(C=Cc2nc3ccc(Cl)cc3c(=O)n2CC2CCCC(CN)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
TP53 P04637 2/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2D6 P10635 2/20 0.36
GHSR Q92847 1/20 0.36
LMNA P02545 1/20 0.36
PDE5A O76074 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
ADORA3 P0DMS8 1/20 0.36

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
SCHEMBL5878477 1.00 MAPT (0.40) MAPTTP53MEN1KMT2ACYP2D6
SCHEMBL5877223 0.94 LMNA (0.39) MAPTTP53MEN1KMT2ACYP2D6
SCHEMBL5877219 0.94 LMNA (0.39) MAPTTP53MEN1KMT2ACYP2D6
SCHEMBL7487743 0.91 LMNA (0.37) MAPTMEN1KMT2ACYP2D6GHSR
SCHEMBL7487746 0.91 LMNA (0.37) MAPTMEN1KMT2ACYP2D6GHSR
SCHEMBL5877277 0.90 LMNA (0.46) MAPTTP53MEN1KMT2ALMNA
SCHEMBL5877273 0.90 LMNA (0.46) MAPTTP53MEN1KMT2ALMNA
SCHEMBL5878051 0.84 MEN1 (0.38) MAPTTP53MEN1KMT2AGHSR
SCHEMBL5878162 0.83 KDM4E (0.45) MAPTTP53MEN1KMT2AGHSR
SCHEMBL5878166 0.83 KDM4E (0.45) MAPTTP53MEN1KMT2AGHSR

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