SCHEMBL9749640

SCHEMBL9749640

CCCCCCCCCn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c3ccccc3c21

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
KDM4E B2RXH2 3/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 1/20 0.40
GRIK1 P39086 2/20 0.39
GRIK2 Q13002 2/20 0.39
GRIK3 Q13003 2/20 0.39
GRIK4 Q16099 2/20 0.39
GRIK5 Q16478 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9749646 0.83 KDM4E (0.45) MEN1KMT2ASIRT2KDM4EMAPT
SCHEMBL8617954 0.81 SIRT2 (0.43) KMT2ASIRT2MAPTALDH1A1HPGD
SCHEMBL8618891 0.79 GRIK1 (0.57) SIRT2GRIK1GRIK2GRIK3GRIK4
SCHEMBL8617971 0.78 SIRT2 (0.40) KMT2ASIRT2MAPTHPGDGRIK1
SCHEMBL8619770 0.78 GRIA1 (0.44) KMT2ASIRT2MAPTHPGDGRIK1
SCHEMBL8620799 0.76 SIRT2 (0.37) MEN1KMT2ASIRT2KDM4EMAPT
Bicarbonate SCHEMBL8806909 0.76 SIRT2 (0.47) KMT2ASIRT2MAPTHPGDGRIK1
SCHEMBL8624320 0.74 SIRT2 (0.35) MEN1KMT2ASIRT2MAPTALDH1A1
SCHEMBL8622359 0.72 SIRT2 (0.39) KMT2ASIRT2MAPTHPGDGRIK1
SCHEMBL8624831 0.72 SIRT2 (0.40) KMT2ASIRT2MAPTHPGDGRIK1

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