SCHEMBL8570646

SCHEMBL8570646

CC(O)N(Cc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12)C(C)O

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.58
GRIN2D O15399 1/20 0.51
GRIN3B O60391 1/20 0.51
GRIN2A Q12879 1/20 0.51
GRIN2B Q13224 1/20 0.51
GRIN2C Q14957 1/20 0.51
GRIN3A Q8TCU5 1/20 0.51

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
Hydrochloric Acid SCHEMBL8087177 0.99 GRIN1 (0.57) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8568020 0.90 GRIN1 (0.58) GRIN1
Bromide SCHEMBL8091961 0.89 GRIN1 (0.57) GRIN1
SCHEMBL8562825 0.83 GRIN1 (0.55) GRIN1
Bromide SCHEMBL8092139 0.82 GRIN1 (0.54) GRIN1
SCHEMBL8500329 0.81 GRIN1 (0.54) GRIN1
SCHEMBL8566608 0.81 GRIN1 (0.53) GRIN1
SCHEMBL8500903 0.81 GRIN1 (0.53) GRIN1
Hydrochloric Acid SCHEMBL8564723 0.80 GRIN1 (0.53) GRIN1
SCHEMBL5973748 0.80 GRIN1 (0.65) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0853617-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES Novartis AG (CH) 1998-07-22 EP claimed
WO-1997008155-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 1997-03-06 WO claimed