SCHEMBL6313835

SCHEMBL6313835

COc1ccc2nc(/C=C/c3ccco3)n(CCCN)c(=O)c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.47
MEN1 O00255 6/20 0.47
POLB P06746 5/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
MAPT P10636 4/20 0.47
GAA P10253 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
BLM P54132 2/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
THRB P10828 1/20 0.44
RXRA P19793 1/20 0.42
F11 P03951 1/20 0.42
KDM4E B2RXH2 3/20 0.41
PKM P14618 1/20 0.41
RECQL P46063 1/20 0.41
HTT P42858 2/20 0.41
TDP1 Q9NUW8 3/20 0.40
DYRK1A Q13627 2/20 0.40

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
SCHEMBL6313839 1.00 KMT2A (0.47) KMT2AMEN1POLBALDH1A1HPGD
SCHEMBL6306604 0.87 KMT2A (0.49) KMT2AMEN1POLBALDH1A1HPGD
SCHEMBL6306610 0.87 KMT2A (0.49) KMT2AMEN1POLBALDH1A1HPGD
SCHEMBL6313482 0.85 ALDH1A1 (0.48) KMT2AMEN1POLBALDH1A1HPGD
SCHEMBL6313484 0.85 ALDH1A1 (0.48) KMT2AMEN1POLBALDH1A1HPGD
SCHEMBL6309674 0.85 MEN1 (0.55) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL6309679 0.85 MEN1 (0.55) KMT2AMEN1ALDH1A1HPGDMAPT
SCHEMBL6306036 0.84 MEN1 (0.57) KMT2AMEN1POLBALDH1A1HPGD
SCHEMBL6306032 0.84 MEN1 (0.57) KMT2AMEN1POLBALDH1A1HPGD
SCHEMBL6307424 0.84 MAPT (0.45) KMT2AMEN1POLBALDH1A1HPGD

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