SCHEMBL6314122

SCHEMBL6314122

COc1cc(OC)cc(-c2ccc(-c3nc4ccc(OC)cc4c(=O)n3Cc3cccc(CN)c3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F11 P03951 3/20 0.52
AVPR1B P47901 4/20 0.47
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
BRD4 O60885 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RECQL P46063 2/20 0.46
POLB P06746 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL6315949 0.94 F11 (0.56) F11AVPR1BALDH1A1MEN1KMT2A
SCHEMBL6307391 0.94 F11 (0.55) F11AVPR1BALDH1A1MEN1KMT2A
SCHEMBL6308984 0.93 ALDH1A1 (0.51) F11AVPR1BALDH1A1MEN1KMT2A
SCHEMBL6308063 0.92 ALDH1A1 (0.56) F11AVPR1BALDH1A1MEN1KMT2A
SCHEMBL6314098 0.92 F11 (0.55) F11AVPR1BALDH1A1MEN1KMT2A
SCHEMBL6306228 0.92 POLB (0.50) F11AVPR1BALDH1A1MEN1KMT2A
SCHEMBL7554710 0.91 F11 (0.60) F11ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL6306622 0.91 F11 (0.56) F11AVPR1BALDH1A1MEN1KMT2A
SCHEMBL6308140 0.89 F11 (0.50) F11AVPR1BALDH1A1MEN1KMT2A
SCHEMBL6306008 0.89 F11 (0.52) F11AVPR1BALDH1A1MEN1KMT2A

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