SCHEMBL9747101

SCHEMBL9747101

NS(=O)(=O)c1ccc(Br)c2c([N+](=O)[O-])cccc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MAPT P10636 4/20 0.46
MEN1 O00255 4/20 0.46
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 2/20 0.46
CYP2C19 P33261 2/20 0.46
GRM6 O15303 1/20 0.46
GLA P06280 1/20 0.46
THRB P10828 1/20 0.46
GRIK1 P39086 1/20 0.46
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46
RECQL P46063 1/20 0.46
GRIA4 P48058 1/20 0.46
GRIK2 Q13002 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
SCHEMBL9746830 0.80 TDP1 (0.50) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL14149481 0.79 TDP1 (0.64) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL6618259 0.78 TDP1 (0.44) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL6613577 0.78 TDP1 (0.44) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL29549101 0.76 KMT2A (0.52) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL22531716 0.76 KMT2A (0.52) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL9746845 0.76 AURKA (0.50) ALDH1A1TDP1HPGDHSD17B10CA2
SCHEMBL7497022 0.74 NR4A1 (0.42) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL6989267 0.73 KMT2A (0.44) KMT2AMAPTMEN1KDM4EALDH1A1
SCHEMBL7497021 0.73 AURKA (0.43) KMT2AMAPTMEN1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0511152-A2 Quinoxaline compounds, their preparation and use NOVO NORDISK A/S (DK) 1992-10-28 EP disclosed