SCHEMBL8902872

SCHEMBL8902872

O=c1[nH]c2c(Cl)ccc([N+](=O)[O-])c2[nH]c1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
PARP1 P09874 1/20 0.47
GRIN2D O15399 8/20 0.46
GRIN3B O60391 8/20 0.46
GRIN1 Q05586 8/20 0.46
GRIN2A Q12879 8/20 0.46
GRIN2B Q13224 8/20 0.46
GRIN2C Q14957 8/20 0.46
GRIN3A Q8TCU5 8/20 0.46
TSHR P16473 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
GRIK1 P39086 1/20 0.46
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46
GRIA4 P48058 1/20 0.46

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
SCHEMBL8904678 0.75 GRIN2D (0.52) TDP1PARP1GRIN2DGRIN3BGRIN1
SCHEMBL11003986 0.73 TDP1 (0.48) TDP1TSHRMAPK1CASP6ALDH1A1
SCHEMBL30799237 0.73 TDP1 (0.48) TDP1TSHRMAPK1CASP6ALDH1A1
SCHEMBL8902875 0.71 GRIN2D (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL31378783 0.71 DAO (0.58) TDP1PARP1GRIN2DGRIN3BGRIN1
SCHEMBL1329938 0.71 TSHR (0.45) TDP1PARP1GRIN2DGRIN3BGRIN1
SCHEMBL10777900 0.70 PARP1 (0.60) TDP1PARP1GRIN2DGRIN3BGRIN1
SCHEMBL27153006 0.70 NOS1 (0.53) TDP1TSHRCYP1A2CYP3A4MAPT
SCHEMBL29540442 0.69 TDP1 (0.44) TDP1TSHRCYP3A4MAPTMAPK1
SCHEMBL6537811 0.69 TDP1 (0.44) TDP1PARP1TSHRLMNAMAPT

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-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