SCHEMBL8478336

SCHEMBL8478336

O=c1[nH]c2cc([N+](=O)[O-])cnc2[nH]c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.54
GRIA2 P42262 3/20 0.54
GRIA3 P42263 3/20 0.54
GRIA4 P48058 3/20 0.54
GRIN2D O15399 1/20 0.47
GRIN3B O60391 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
GRIK1 P39086 1/20 0.47
BLM P54132 1/20 0.47
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIK2 Q13002 1/20 0.47
GRIK3 Q13003 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47

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
SCHEMBL20569889 0.86 PRKD3 (0.54) GRIA1GRIA2GRIA3GRIA4LMNA
SCHEMBL4129024 0.73 CA12 (0.54) GRIA1GRIA2GRIA3GRIA4CYP1A2
SCHEMBL8482178 0.72 GRIN2D (0.50) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL8478545 0.71 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8478807 0.71 DYRK1A (0.72) LMNACYP1A2CYP3A4MAPTALDH1A1
SCHEMBL7261685 0.71 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL6813581 0.70 MEN1 (0.52) MAPTHPGDALDH1A1
SCHEMBL30846810 0.70 ALDH1A1 (0.49) GRIA1GRIA2GRIA3GRIA4LMNA
SCHEMBL8483150 0.70 GALR3 (0.77) GRIA1GRIA2GRIA3GRIA4GRIN2D
SCHEMBL3213407 0.70 PSMB8 (0.39) GRIA1GRIA2GRIA3GRIA4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5863916-A 8-aza, 6-aza and 6,8-diaza-1,4-dihydroquinoxaline-2,3-diones and the use thereof as antagonists for the glycine/NMDA receptor 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 (US) 1999-01-26 US disclosed
US-5620978-A 8-aza, 6-aza and 6,8-diaza-1,4-dihydroquinoxaline-2,3-diones and the use thereof as antagonists for the glycine/NMDA receptor 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
EP-0743855-A1 8-AZA, 6-AZA AND 6,8-DIAZA-1,4-DIHYDROQUINOXALINE-2,3-DIONES AND THE USE THEREOF AS ANTAGONISTS FOR THE GLYCINE/NMDA RECEPTOR ACEA PHARMACEUTICALS, INC. (US) 1996-11-27 EP disclosed
WO-1995018616-A2 8-AZA, 6-AZA AND 6,8-DIAZA-1,4-DIHYDROQUINOXALINE-2,3-DIONES AND THE USE THEREOF AS ANTAGONISTS FOR THE GLYCINE/NMDA RECEPTOR ACEA PHARM INC (US) 1995-07-13 WO disclosed