SCHEMBL7095236

SCHEMBL7095236

NS(=O)(=O)c1cccc2c3c(cc([N+](=O)[O-])c12)=NCCN=3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MAPT P10636 4/20 0.53
HSD17B10 Q99714 3/20 0.53
KDM4E B2RXH2 2/20 0.53
HPGD P15428 2/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
PKM P14618 1/20 0.53
BLM P54132 1/20 0.53
TDP1 Q9NUW8 4/20 0.51
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 3/20 0.51
ALOX15 P16050 2/20 0.51
GRM6 O15303 1/20 0.51
GLA P06280 1/20 0.51
THRB P10828 1/20 0.51
CYP2C19 P33261 1/20 0.51
GRIK1 P39086 1/20 0.51
GRIA1 P42261 1/20 0.51
GRIA2 P42262 1/20 0.51

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
SCHEMBL222006 0.80 KMT2A (0.54) KMT2AMAPTHSD17B10KDM4EHPGD
SCHEMBL7100168 0.71 MAPT (0.67) KMT2AMAPTHSD17B10KDM4EHPGD
SCHEMBL7531086 0.70 KMT2A (0.57) KMT2AMAPTHSD17B10KDM4EHPGD
SCHEMBL28120662 0.69 KMT2A (0.61) KMT2AMAPTHSD17B10KDM4EHPGD
Nbqx SCHEMBL220464 0.69 MAPT (0.74) KMT2AMAPTHSD17B10KDM4EHPGD
Nbqx SCHEMBL20501770 0.69 MAPT (1.00) KMT2AMAPTHSD17B10KDM4EHPGD
Nbqx SCHEMBL29412437 0.69 MAPT (0.74) KMT2AMAPTHSD17B10KDM4EHPGD
SCHEMBL14149481 0.69 TDP1 (0.64) KMT2AMAPTHSD17B10KDM4EHPGD
Nbqx SCHEMBL29985796 0.68 MAPT (0.98) KMT2AMAPTHSD17B10KDM4EHPGD
Nbqx SCHEMBL30728067 0.68 MAPT (0.73) KMT2AMAPTHSD17B10KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5767119-A Method of treating neurodegenerative diseases using an AMPA excitatory amino and an uricosuric agent WARNER-LAMBERT COMPANY (US) 1998-06-16 US claimed
EP-0603301-B1 PHARMACEUTICAL PREPARATION CONTAINING AN URICOSURIC AND AN EXCITATORY AMINO ACID ANTAGONIST WARNER LAMBERT CO (US) 1998-01-14 EP claimed
US-5627168-A INHIBITION OF THE UNIDIRECTIONAL EFFLUX OF THE EXCITATORY AMINO ACID ANTAGONIST FROM THE BRAIN; ANTIEPILEPTIC AND ANXIOLYTIC AGENTS; SCHIZOPHRENIA, ANALGESICS; NEURODEGENERATIVE DISEASES WARNER-LAMBERT COMPANY (US) 1997-05-06 US claimed
US-5407935-A 2,3-dihydro-6-nitro-7-sulfamoyl benzo(F)quinoxaline as alpha-amino 3-hydroxy-5-methyl-isoxazole propionic acid antagonist together with probenecid diuretics are useful for treating neurodegenerative diseases WARNER-LAMBERT COMPANY (US) 1995-04-18 US claimed
EP-0603301-A1 PHARMACEUTICAL PREPARATION CONTAINING AN URICOSURIC AND AN EXCITATORY AMINO ACID ANTAGONIST WARNER-LAMBERT COMPANY (US) 1994-06-29 EP claimed
WO-1993004688-A1 PHARMACEUTICAL PREPARATION CONTAINING AN URICOSURIC AND AN EXCITATORY AMINO ACID ANTAGONIST WARNER-LAMBERT COMPANY (US) 1993-03-18 WO claimed
WO-2003091405-A2 IN VITRO ISCHEMIA MODEL AGY THERAPEUTICS, INC. (US) 2003-11-06 WO disclosed