SCHEMBL12591963

SCHEMBL12591963

O=C1NC(c2ccccc2[N+](=O)[O-])Nc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.65
KMT2A Q03164 4/20 0.65
GAA P10253 3/20 0.65
MAPT P10636 2/20 0.65
MEN1 O00255 2/20 0.65
HTT P42858 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
ALDH1A1 P00352 7/20 0.63
NPSR1 Q6W5P4 1/20 0.63
PKM P14618 2/20 0.60
TNKS2 Q9H2K2 8/20 0.59
HSD17B10 Q99714 4/20 0.59
HPGD P15428 4/20 0.59
TSHR P16473 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
PBRM1 Q86U86 1/20 0.59
CYP1A2 P05177 1/20 0.50
NPC1 O15118 1/20 0.50
MAPK1 P28482 1/20 0.48
LMNA P02545 1/20 0.46

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
SCHEMBL27944858 1.00 KDM4E (0.65) KDM4EKMT2AGAAMAPTMEN1
SCHEMBL28357584 0.84 ALDH1A1 (0.72) KDM4EKMT2AGAAMAPTMEN1
SCHEMBL28837986 0.76 TNKS2 (0.66) KDM4EKMT2AGAAMAPTMEN1
SCHEMBL13876845 0.74 TNKS2 (0.66) KDM4EKMT2AGAAMAPTMEN1
SCHEMBL31103383 0.74 TNKS2 (1.00) KDM4EKMT2AGAAMEN1ALDH1A1
SCHEMBL24743516 0.74 TNKS2 (1.00) KDM4EKMT2AGAAHTTALDH1A1
SCHEMBL6124228 0.74 TNKS2 (0.71) KDM4EKMT2AGAAMAPTMEN1
SCHEMBL31338439 0.74 TNKS2 (0.66) KDM4EKMT2AGAAMAPTMEN1
SCHEMBL31338437 0.74 TNKS2 (0.66) KDM4EKMT2AGAAMAPTMEN1
SCHEMBL4090554 0.74 TNKS2 (0.66) KDM4EKMT2AGAAMAPTMEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103420921-A Method for synthesizing optically-active 2,3-dihydro quinazolinone derivative by using chiral spiro phosphoric acid as catalyst UNIV ZHEJIANG 2013-12-04 CN disclosed
US-20110117659-A1 QUINAZOLINE-CONTAINING KITS FOR LABELING ALDEHYDE OR KETONE MOIETIES Life Technologies Corporation (US) 2011-05-19 US disclosed
US-20110117659-A1 QUINAZOLINE-CONTAINING KITS FOR LABELING ALDEHYDE OR KETONE MOIETIES Life Technologies Corporation (US) 2011-05-19 US disclosed
US-7816527-B2 Quinazoline-containing kits for labeling aldehyde or ketone moieties Life Technologies Corporation (US) 2010-10-19 US disclosed
US-7816527-B2 Quinazoline-containing kits for labeling aldehyde or ketone moieties Life Technologies Corporation (US) 2010-10-19 US disclosed