SCHEMBL9749646

SCHEMBL9749646

CCCCCCCCCn1c(=O)c(=O)[nH]c2c3ccccc3c([N+](=O)[O-])cc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
MAPT P10636 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
HTT P42858 3/20 0.43
SIRT2 Q8IXJ6 1/20 0.43
RORA P35398 3/20 0.42
RORC P51449 3/20 0.42
RORB Q92753 3/20 0.42
PGR P06401 3/20 0.41
PARP1 P09874 1/20 0.41
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.41
NPC1 O15118 1/20 0.40
CNR2 P34972 1/20 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
SCHEMBL9749640 0.83 MEN1 (0.43) KDM4EMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8620601 0.81 SIRT2 (0.43) KDM4ESIRT2PARP1ALDH1A1HPGD
SCHEMBL8623646 0.79 GRIK1 (0.54) SIRT2PARP1
SCHEMBL8616658 0.78 SIRT2 (0.40) MAPTMEN1KMT2AHTTSIRT2
SCHEMBL8618714 0.78 GRIA1 (0.44) MEN1KMT2ASIRT2PARP1
SCHEMBL9396447 0.77 SMN1; SMN2 (0.53) KDM4EMAPTSMN1; SMN2HSD17B10HTT
SCHEMBL9395611 0.77 SMN1; SMN2 (0.53) KDM4EMAPTSMN1; SMN2HSD17B10HTT
Bicarbonate SCHEMBL8807164 0.76 SIRT2 (0.47) KDM4EMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL8617993 0.72 SIRT2 (0.39) KDM4EMAPTMEN1KMT2AHTT
SCHEMBL9395672 0.72 RORA (0.52) KDM4ESMN1; SMN2HSD17B10SIRT2RORA

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