SCHEMBL8115133

SCHEMBL8115133

COc1c(Cl)cc2c(c1[N+](=O)[O-])[N]C(=O)C(=O)N2

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.48
GRIN3B O60391 4/20 0.48
GRIN1 Q05586 4/20 0.48
GRIN2A Q12879 4/20 0.48
GRIN2B Q13224 4/20 0.48
GRIN2C Q14957 4/20 0.48
GRIN3A Q8TCU5 4/20 0.48
MAPT P10636 4/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
BLM P54132 1/20 0.34
CHEK1 O14757 4/20 0.33
ALDH1A1 P00352 4/20 0.33
TSHR P16473 3/20 0.32
PKM P14618 1/20 0.32
MCL1 Q07820 1/20 0.31
DCTPP1 Q9H773 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8120382 0.85 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8113141 0.83 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5274587 0.82 TSHR (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8114652 0.80 TSHR (0.34) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8554985 0.80 ALDH1A1 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8123618 0.80 GRIN2D (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8121622 0.77 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8558654 0.77 TSHR (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8124641 0.77 TSHR (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8121823 0.77 GRIN2D (0.51) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0732942-A4 ALKYL, AZIDO, ALKOXY, AND FLUORO-SUBSTITUTED AND FUSED QUINOXALINEDIONES AND THE USE THEREOF AS GLYCINE RECEPTOR ANTAGONISTS COCENSYS INC (US) 2000-03-22 EP claimed
EP-0732942-A1 ALKYL, AZIDO, ALKOXY, AND FLUORO-SUBSTITUTED AND FUSED QUINOXALINEDIONES AND THE USE THEREOF AS GLYCINE RECEPTOR ANTAGONISTS ACEA PHARMACEUTICALS, INC. (US) 1996-09-25 EP claimed
WO-1995012417-A1 ALKYL, AZIDO, ALKOXY, AND FLUORO-SUBSTITUTED AND FUSED QUINOXALINEDIONES AND THE USE THEREOF AS GLYCINE RECEPTOR ANTAGONISTS ACEA PHARMACEUTICALS, INC. (US) 1995-05-11 WO claimed
EP-0732942-A4 ALKYL, AZIDO, ALKOXY, AND FLUORO-SUBSTITUTED AND FUSED QUINOXALINEDIONES AND THE USE THEREOF AS GLYCINE RECEPTOR ANTAGONISTS COCENSYS INC (US) 2000-03-22 EP disclosed
EP-0732942-A1 ALKYL, AZIDO, ALKOXY, AND FLUORO-SUBSTITUTED AND FUSED QUINOXALINEDIONES AND THE USE THEREOF AS GLYCINE RECEPTOR ANTAGONISTS ACEA PHARMACEUTICALS, INC. (US) 1996-09-25 EP disclosed
WO-1995012417-A1 ALKYL, AZIDO, ALKOXY, AND FLUORO-SUBSTITUTED AND FUSED QUINOXALINEDIONES AND THE USE THEREOF AS GLYCINE RECEPTOR ANTAGONISTS ACEA PHARMACEUTICALS, INC. (US) 1995-05-11 WO disclosed