SCHEMBL7959733

SCHEMBL7959733

Cc1c([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c2c1CN(C)C(=O)c1cccs1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 9/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
GRIA1 P42261 2/20 0.48
GRIA2 P42262 2/20 0.48
GRIA3 P42263 2/20 0.48
GRIA4 P48058 2/20 0.48
LMNA P02545 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.42
ATM Q13315 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
GRIN2D O15399 2/20 0.40
GRIN3B O60391 2/20 0.40
GRIN1 Q05586 2/20 0.40
GRIN2A Q12879 2/20 0.40

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
SCHEMBL7959292 0.85 GRIA1 (0.53) KMT2AMEN1GRIA1GRIA2GRIA3
SCHEMBL7958054 0.83 GRIA1 (0.56) ALDH1A1GRIA1GRIA2GRIA3GRIA4
SCHEMBL7959924 0.83 GRIA1 (0.45) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL7948364 0.82 GRIA1 (0.49) KMT2AGRIA1GRIA2GRIA3GRIA4
SCHEMBL7959487 0.82 GRIA1 (0.47) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL7948372 0.81 GRIA1 (0.51) ALDH1A1KMT2AMEN1GRIA1GRIA2
SCHEMBL7948140 0.81 GRIA1 (0.48) ALDH1A1KDM4EKMT2AMEN1GRIA1
SCHEMBL8894957 0.80 GRIA1 (0.48) ALDH1A1KDM4EKMT2AMEN1GRIA1
SCHEMBL7948349 0.80 GRIA1 (0.48) ALDH1A1SMN1; SMN2KDM4EKMT2AMEN1
SCHEMBL7957898 0.80 GRIA1 (0.49) ALDH1A1SMN1; SMN2KMT2AGRIA1GRIA2

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