SCHEMBL6308495

SCHEMBL6308495

COc1ccc2nc(-c3ccc(OC)c(OC)c3)n(CCCN)c(=O)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.59
POLB P06746 2/20 0.48
ALDH1A1 P00352 7/20 0.48
HPGD P15428 5/20 0.48
MAPK1 P28482 4/20 0.48
MAPT P10636 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 2/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.46
KDM4E B2RXH2 5/20 0.46
LMNA P02545 2/20 0.46
ABCC1 P33527 3/20 0.44
HSD17B10 Q99714 2/20 0.44
RECQL P46063 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
AVPR1B P47901 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL7549056 0.91 F11 (0.59) F11POLBALDH1A1HPGDMAPK1
SCHEMBL6308756 0.91 POLB (0.56) F11POLBALDH1A1HPGDMAPK1
SCHEMBL6307014 0.90 F11 (0.67) F11POLBALDH1A1HPGDMAPK1
SCHEMBL6308236 0.90 F11 (0.56) F11POLBALDH1A1HPGDMAPK1
SCHEMBL6315757 0.89 POLB (0.57) F11POLBMAPK1MAPTSMN1; SMN2
SCHEMBL6308394 0.88 F11 (0.65) F11POLBALDH1A1HPGDMAPK1
SCHEMBL6306810 0.88 F11 (0.62) F11POLBALDH1A1HPGDMAPK1
SCHEMBL6307622 0.88 F11 (0.59) F11POLBALDH1A1HPGDMAPK1
SCHEMBL6308567 0.87 F11 (0.64) F11POLBALDH1A1HPGDMAPK1
SCHEMBL6314101 0.87 POLB (0.62) POLBALDH1A1HPGDMAPK1MAPT

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