SCHEMBL3680472

SCHEMBL3680472

NS(=O)(=O)c1cccc2c1c([N+](=O)[O-])cc1[nH]c(=O)c(=O)n(CCOC(=O)O)c12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 8/20 0.55
GRIK2 Q13002 8/20 0.55
GRIK5 Q16478 7/20 0.55
GRIA1 P42261 7/20 0.55
GRIA2 P42262 7/20 0.55
GRIA3 P42263 7/20 0.55
GRIA4 P48058 7/20 0.55
GRIK3 Q13003 6/20 0.55
GRIK4 Q16099 6/20 0.55
KDM4E B2RXH2 2/20 0.55
MAPT P10636 2/20 0.55
HPGD P15428 2/20 0.55
KMT2A Q03164 2/20 0.55
HSD17B10 Q99714 2/20 0.55
MEN1 O00255 1/20 0.55
GRM6 O15303 1/20 0.55
ALDH1A1 P00352 1/20 0.55
GLA P06280 1/20 0.55
THRB P10828 1/20 0.55
ALOX15 P16050 1/20 0.55

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
SCHEMBL3668211 0.87 GRIK1 (0.59) GRIK1GRIK2GRIK5GRIA1GRIA2
Bicarbonate SCHEMBL8807930 0.83 GRIK1 (0.61) GRIK1GRIK2GRIK5GRIA1GRIA2
SCHEMBL3683015 0.83 GRIA1 (0.58) GRIK1GRIK2GRIK5GRIA1GRIA2
SCHEMBL3691418 0.81 KMT2A (0.65) GRIK1GRIK2GRIK5GRIA1GRIA2
SCHEMBL3688250 0.80 GRIA1 (0.54) GRIK1GRIK2GRIK5GRIA1GRIA2
SCHEMBL3680141 0.79 GRIK1 (0.53) GRIK1GRIK2GRIK5GRIA1GRIA2
SCHEMBL3673298 0.78 GRIK1 (0.57) GRIK1GRIK2GRIK5GRIA1GRIA2
SCHEMBL3680432 0.74 KMT2A (0.56) GRIK1GRIK2GRIK5GRIA1GRIA2
SCHEMBL3682837 0.74 KMT2A (0.53) GRIK1GRIK2GRIK5GRIA1GRIA2
SCHEMBL8620605 0.74 KMT2A (0.53) GRIK1GRIK2GRIK5GRIA1GRIA2

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
EP-2150248-A2 GLUTAMATE RECEPTOR ANTAGONISTS AND METHODS OF USE The Johns Hopkins University (US) 2010-02-10 EP disclosed
WO-2008088820-A2 GLUTAMATE RECEPTOR ANTAGONISTS AND METHODS OF USE THE JOHNS HOPKINS UNIVERSITY (US) 2008-07-24 WO disclosed