SCHEMBL7948349

SCHEMBL7948349

COc1ccc(C(=O)N(C)Cc2c(C)c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 2/20 0.48
GRIA2 P42262 2/20 0.48
GRIA3 P42263 2/20 0.48
GRIA4 P48058 2/20 0.48
KDM4E B2RXH2 7/20 0.46
ALDH1A1 P00352 7/20 0.46
HSD17B10 Q99714 5/20 0.46
HPGD P15428 5/20 0.46
GAA P10253 2/20 0.46
KMT2A Q03164 3/20 0.40
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
MEN1 O00255 2/20 0.39

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
SCHEMBL7948364 0.89 GRIA1 (0.49) GRIA1GRIA2GRIA3GRIA4KMT2A
SCHEMBL7948372 0.88 GRIA1 (0.51) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL7959292 0.88 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4HPGD
SCHEMBL7958315 0.86 GRIA1 (0.47) GRIA1GRIA2GRIA3GRIA4KDM4E
SCHEMBL7948140 0.86 GRIA1 (0.48) GRIA1GRIA2GRIA3GRIA4KDM4E
SCHEMBL7957898 0.85 GRIA1 (0.49) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL7964505 0.83 MAPT (0.45) GRIA1GRIA2GRIA3GRIA4KDM4E
SCHEMBL7958054 0.82 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL7948153 0.82 GRIA1 (0.61) GRIA1GRIA2GRIA3GRIA4HPGD
SCHEMBL7961923 0.81 GRIA1 (0.46) GRIA1GRIA2GRIA3GRIA4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6191134-B1 STROKE THERAPY, ANTIISCHEMIC AGENTS, BRAIN DISORDERS WARNER-LAMBERT COMPANY 2001-02-20 US claimed
WO-1997046539-A1 AMIDE DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-12-11 WO claimed
US-6268366-B1 Amide derivatives of substituted quinoxaline 2,3-diones as glutamate receptor antagonists WARNER-LAMBERT COMPANY 2001-07-31 US disclosed
US-6191134-B1 STROKE THERAPY, ANTIISCHEMIC AGENTS, BRAIN DISORDERS WARNER-LAMBERT COMPANY 2001-02-20 US disclosed
WO-1997046539-A1 AMIDE DERIVATIVES OF SUBSTITUTED QUINOXALINE 2,3-DIONES AS GLUTAMATE RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-12-11 WO disclosed