SCHEMBL6314101

SCHEMBL6314101

COc1ccc(-c2nc3ccccc3c(=O)n2CCCN)cc1OC

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.62
SMN1; SMN2 Q16637 4/20 0.57
TP53 P04637 4/20 0.57
GAA P10253 1/20 0.57
ALDH1A1 P00352 6/20 0.56
ABCC1 P33527 4/20 0.56
PDE10A Q9Y233 1/20 0.54
MAPK1 P28482 4/20 0.54
HSD17B10 Q99714 3/20 0.54
LMNA P02545 3/20 0.54
HPGD P15428 2/20 0.54
TSHR P16473 2/20 0.54
MAPT P10636 2/20 0.54
USP2 O75604 1/20 0.54
ALOX15 P16050 1/20 0.54
KDM4E B2RXH2 4/20 0.54
RECQL P46063 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53

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
SCHEMBL6314616 0.89 SMN1; SMN2 (0.67) POLBSMN1; SMN2TP53ALDH1A1ABCC1
SCHEMBL6308756 0.88 POLB (0.56) POLBSMN1; SMN2TP53GAAALDH1A1
SCHEMBL6308495 0.87 F11 (0.59) POLBSMN1; SMN2TP53GAAALDH1A1
SCHEMBL6315757 0.86 POLB (0.57) POLBSMN1; SMN2TP53GAAABCC1
SCHEMBL6308357 0.86 EGFR (0.59) POLBSMN1; SMN2TP53GAAABCC1
SCHEMBL6307999 0.85 ALDH1A1 (0.69) POLBSMN1; SMN2ALDH1A1MAPK1LMNA
SCHEMBL6309193 0.85 F11 (0.62) POLBSMN1; SMN2ALDH1A1MAPK1LMNA
SCHEMBL6309730 0.84 ALDH1A1 (0.59) POLBSMN1; SMN2ALDH1A1MAPK1LMNA
SCHEMBL6313886 0.84 ALDH1A1 (0.57) POLBSMN1; SMN2ALDH1A1MAPK1LMNA
SCHEMBL6306167 0.83 KMT2A (0.63) POLBSMN1; SMN2TP53GAAALDH1A1

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