SCHEMBL7100168

SCHEMBL7100168

NS(=O)(=O)c1cccc2c1c([N+](=O)[O-])cc1nccnc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.67
KMT2A Q03164 6/20 0.67
KDM4E B2RXH2 5/20 0.67
HPGD P15428 2/20 0.67
HSD17B10 Q99714 2/20 0.67
TP53 P04637 1/20 0.67
CYP1A2 P05177 1/20 0.67
PKM P14618 1/20 0.67
BLM P54132 1/20 0.67
ALDH1A1 P00352 6/20 0.52
MEN1 O00255 5/20 0.52
TDP1 Q9NUW8 4/20 0.52
GRM6 O15303 1/20 0.52
GLA P06280 1/20 0.52
THRB P10828 1/20 0.52
ALOX15 P16050 1/20 0.52
CYP2C19 P33261 1/20 0.52
GRIK1 P39086 1/20 0.52
GRIA1 P42261 1/20 0.52
GRIA2 P42262 1/20 0.52

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
Nbqx SCHEMBL2230845 0.83 MAPT (0.65) MAPTKMT2AKDM4EHPGDHSD17B10
Nbqx SCHEMBL20501770 0.80 MAPT (1.00) MAPTKMT2AKDM4EHPGDHSD17B10
Nbqx SCHEMBL29412437 0.80 MAPT (0.74) MAPTKMT2AKDM4EHPGDHSD17B10
Nbqx SCHEMBL220464 0.80 MAPT (0.74) MAPTKMT2AKDM4EHPGDHSD17B10
Nbqx SCHEMBL26985644 0.79 MAPT (0.73) MAPTKMT2AKDM4EHPGDHSD17B10
Nbqx SCHEMBL29985796 0.79 MAPT (0.98) MAPTKMT2AKDM4EHPGDHSD17B10
Nbqx SCHEMBL30728067 0.79 MAPT (0.73) MAPTKMT2AKDM4EHPGDHSD17B10
SCHEMBL28120662 0.75 KMT2A (0.61) MAPTKMT2AKDM4EHPGDHSD17B10
SCHEMBL7095236 0.71 KMT2A (0.53) MAPTKMT2AKDM4EHPGDHSD17B10
SCHEMBL222006 0.71 KMT2A (0.54) MAPTKMT2AKDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0878196-B1 KAINIC ACID NEURONOTOXICITY INHIBITORS AND PYRIDOTHIAZINE DERIVATIVES YAMANOUCHI PHARMA CO LTD (JP) 2003-09-03 EP disclosed
EP-0784054-B1 1,2,3,4-TETRAHYDROQUINOXALINEDIONE DERIVATIVES AND USE AS GLUTAMATE RECEPTOR ANTAGONISTS YAMANOUCHI PHARMA CO LTD (JP) 2001-11-28 EP disclosed
US-6133258-A PYRIDOTHIAZINE DERIVATIVE; FOR TREATMENT OF AMYOTROPHIC LATERAL SCLEROSIS, MULTIPLE SCLEROSIS, PAIN, GLAUCOMA YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-10-17 US disclosed
US-6121264-A GLUTAMATE RECEPTOR ANTAGONIST, AMPA RECEPTOR ANTAGONIST, NMDA-GLYCINE RECEPTOR ANTAGONIST, KAINIC ACID NEUROTOXICITY INHIBITOR, ANTIISCHEMIC AGENT, PSYCHOTROPIC AGENT YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2000-09-19 US disclosed
US-6096743-A 1,2,3,4-tetrahydroquinoxalinedione derivative YAMANOUCHI PHARMACEUTICALS CO., LTD. (JP) 2000-08-01 US disclosed
EP-0556393-B1 FUSED PYRAZINE DERIVATIVE YAMANOUCHI PHARMA CO LTD (JP) 2000-07-26 EP disclosed
EP-0919554-A1 IMIDAZOLE-SUBSTITUTED QUINOXALINEDIONE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1999-06-02 EP disclosed
EP-0878196-A1 KAINIC ACID NEURONOTOXICITY INHIBITORS AND PYRIDOTHIAZINE DERIVATIVES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1998-11-18 EP disclosed
EP-0784054-A1 1,2,3,4-TETRAHYDROQUINOXALINEDIONE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-07-16 EP disclosed
US-5283244-A Anticonvulsants, nervous system disorders YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1994-02-01 US disclosed
EP-0556393-A1 FUSED PYRAZINE DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1993-08-25 EP disclosed