SCHEMBL5877273

SCHEMBL5877273

COc1ccc(OC)c(/C=C/c2nc3ccccc3c(=O)n2CC2CCCC(CN)C2)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.46
TP53 P04637 2/20 0.43
GAA P10253 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
TLR9 Q9NR96 1/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 3/20 0.41
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL5877277 1.00 LMNA (0.46) LMNATP53GAAMEN1KMT2A
SCHEMBL5877223 0.94 LMNA (0.39) LMNATP53MEN1KMT2ATLR9
SCHEMBL5877219 0.94 LMNA (0.39) LMNATP53MEN1KMT2ATLR9
SCHEMBL7487743 0.91 LMNA (0.37) LMNAMEN1KMT2ATLR9ALDH1A1
SCHEMBL7487746 0.91 LMNA (0.37) LMNAMEN1KMT2ATLR9ALDH1A1
SCHEMBL5878481 0.90 MAPT (0.40) LMNATP53MEN1KMT2AMAPT
SCHEMBL5878477 0.90 MAPT (0.40) LMNATP53MEN1KMT2AMAPT
SCHEMBL5878051 0.89 MEN1 (0.38) LMNATP53GAAMEN1KMT2A
SCHEMBL5878047 0.88 ALDH1A1 (0.45) LMNAMEN1KMT2ATLR9ALDH1A1
SCHEMBL5878041 0.88 ALDH1A1 (0.45) LMNAMEN1KMT2ATLR9ALDH1A1

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