SCHEMBL7959924

SCHEMBL7959924

Cc1c([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c2c1CN(C)C(=O)c1cc2ccccc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.45
GRIA2 P42262 3/20 0.45
GRIA3 P42263 3/20 0.45
GRIA4 P48058 3/20 0.45
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRIN2D O15399 2/20 0.38
GRIN3B O60391 2/20 0.38
GRIN1 Q05586 2/20 0.38
GRIN2A Q12879 2/20 0.38
GRIN2B Q13224 2/20 0.38
GRIN2C Q14957 2/20 0.38
GRIN3A Q8TCU5 2/20 0.38
KMT2A Q03164 4/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
CLK1 P49759 1/20 0.37
DYRK1A Q13627 1/20 0.37

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 0.84 GRIA1 (0.53) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL7959733 0.83 ALDH1A1 (0.53) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL7948364 0.81 GRIA1 (0.49) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL7958054 0.80 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL7959487 0.79 GRIA1 (0.47) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL7957879 0.78 GRIA1 (0.51) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL7948372 0.78 GRIA1 (0.51) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL7960263 0.77 GRIA1 (0.50) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL8894957 0.77 GRIA1 (0.48) GRIA1GRIA2GRIA3GRIA4ALDH1A1
SCHEMBL7957898 0.77 GRIA1 (0.49) 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 3 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
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