SCHEMBL9747625

SCHEMBL9747625

NS(=O)(=O)c1cccc2c1ccc1[nH]c(=O)c(=O)[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
KDM4E B2RXH2 2/20 0.56
MEN1 O00255 1/20 0.56
GRM6 O15303 1/20 0.56
ALDH1A1 P00352 1/20 0.56
GLA P06280 1/20 0.56
MAPT P10636 1/20 0.56
THRB P10828 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
CYP2C19 P33261 1/20 0.56
GRIK1 P39086 1/20 0.56
GRIA1 P42261 1/20 0.56
GRIA2 P42262 1/20 0.56
GRIA3 P42263 1/20 0.56
RECQL P46063 1/20 0.56
GRIA4 P48058 1/20 0.56
GRIK2 Q13002 1/20 0.56
GRIK3 Q13003 1/20 0.56
GRIK4 Q16099 1/20 0.56

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
SCHEMBL9746936 0.86 KDM4E (0.45) KMT2AKDM4EMEN1GRM6ALDH1A1
SCHEMBL9747505 0.79 MAPT (0.48) KMT2AKDM4EMEN1GRM6ALDH1A1
SCHEMBL3683483 0.78 KMT2A (0.67) KMT2AKDM4EMEN1GRM6ALDH1A1
SCHEMBL8609148 0.77 PARP1 (0.53) KMT2AKDM4EMEN1GRM6ALDH1A1
SCHEMBL9747110 0.76 MAPT (0.42) KMT2AKDM4EMEN1GRM6ALDH1A1
SCHEMBL9138970 0.75 CDK2 (0.78) HSD17B10TDP1CDK2CA2CA1
SCHEMBL31387051 0.73 PARP1 (0.58) KMT2AKDM4EALDH1A1HPGDRECQL
Nbqx SCHEMBL120375 0.73 GRIA1 (1.00) KMT2AKDM4EMEN1GRM6ALDH1A1
Nbqx SCHEMBL29356960 0.73 GRIA1 (1.00) KMT2AKDM4EMEN1GRM6ALDH1A1
Nbqx SCHEMBL2487669 0.72 GRIA1 (0.98) KMT2AKDM4EMEN1GRM6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858560-B2 Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions CAPROTEC BIOANALYTICS GMBH (DE) 2010-12-28 US disclosed
EP-0511152-A2 Quinoxaline compounds, their preparation and use NOVO NORDISK A/S (DK) 1992-10-28 EP disclosed