SCHEMBL7350934

SCHEMBL7350934

Cc1c(Cl)cc2c(c1[N+](=O)[O-])=NC(=O)C(=O)N=2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
ALDH1A1 P00352 5/20 0.38
TSHR P16473 2/20 0.38
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 2/20 0.33
HTT P42858 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TLR9 Q9NR96 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL6021382 0.84 TSHR (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7344596 0.84 GRIN2D (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7351087 0.81 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7344035 0.81 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7352678 0.81 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7351325 0.81 ALDH1A1 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7353456 0.81 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7787719 0.77 GRIN2D (0.52) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7351629 0.76 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7342863 0.75 TSHR (0.38) 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
US-6251903-B1 Alkyl, azido, alkoxy, and fluoro-substituted and fused quinoxalinediones and the use thereof as glycine receptor antagonist COCENSYS, INC. 2001-06-26 US disclosed
US-6147075-A ANALGESICS; PSYCHOLOGICAL DISORDERS COCENSYS, INC. (US) 2000-11-14 US disclosed
US-5977107-A Alkyl, azido, alkoxy, and fluoro-substituted and fused quinoxalinediones and the use thereof as glycine receptor antagonists COCENSYS, INC. (US) 1999-11-02 US disclosed
WO-1998005337-A1 USE OF GABA AND NMDA RECEPTOR LIGANDS FOR THE TREATMENT OF MIGRAINE HEADACHE COCENSYS, INC. (US) 1998-02-12 WO disclosed
US-5631373-A NERVOUS SYSTEM DISORDERS 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) 1997-05-20 US disclosed