SCHEMBL4704585

SCHEMBL4704585

Nc1cc2[nH]c(=O)c(=O)[nH]c2cc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP7 P55210 1/20 0.58
CASP6 P55212 1/20 0.58
CASP8 Q14790 1/20 0.58
GRIN2D O15399 11/20 0.52
GRIN3B O60391 11/20 0.52
GRIN1 Q05586 11/20 0.52
GRIN2A Q12879 11/20 0.52
GRIN2B Q13224 11/20 0.52
GRIN2C Q14957 11/20 0.52
GRIN3A Q8TCU5 11/20 0.52
KDM4E B2RXH2 3/20 0.44
MAPT P10636 3/20 0.44
HPGD P15428 3/20 0.44
GRIA1 P42261 3/20 0.44
GRIA2 P42262 3/20 0.44
GRIA3 P42263 3/20 0.44
GRIA4 P48058 3/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
CYP1A2 P05177 2/20 0.44

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
SCHEMBL3341909 0.86 CASP7 (0.49) CASP7CASP6CASP8GRIN2DGRIN3B
SCHEMBL4704929 0.83 GRIN2D (0.61) CASP7CASP6CASP8GRIN2DGRIN3B
SCHEMBL19207400 0.78 GRIN2D (0.56) CASP7CASP6CASP8GRIN2DGRIN3B
SCHEMBL4704961 0.73 GRIN2D (0.70) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL463673 0.73 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7610608 0.72 CASP7 (0.72) CASP7CASP6CASP8KDM4EMAPT
Hydrochloric Acid SCHEMBL8609559 0.71 GRIN2D (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4704690 0.71 GRIN2D (0.50) CASP7CASP6CASP8GRIN2DGRIN3B
SCHEMBL30807512 0.71 GRIN2D (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30807513 0.71 GRIN2D (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
EP-0647137-B1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF UNIV CALIFORNIA (US) 2008-08-13 EP disclosed
US-5622952-A NERVOUS SYSTEM DISORDERS; ADMINISTERING 1,4-DIHYDROQUINOXALINE-2,3-DIONE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-04-22 US disclosed
US-5620979-A TREATING NEURONAL LOSS ASSOCIATED WITH STROKE, ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA OR SURGERY STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-04-15 US disclosed
US-5514680-A ANTICONVULSANTS WITH 5,6,7-TRISUBSTITUTED-1,4-DIHYDROQUINOXALINE-2,3-DIONE THE STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY (US) 1996-05-07 US disclosed
WO-1994000124-A1 GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF WEBER ECKARD (US) 1994-01-06 WO disclosed