SCHEMBL9059846

SCHEMBL9059846

CCOC(=O)Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(C(NC(=O)F)(NC(=O)F)NC(=O)F)c3)cc21

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 10/20 0.72
GRIA2 P42262 10/20 0.72
GRIA3 P42263 10/20 0.72
GRIA4 P48058 10/20 0.72
GRIK1 P39086 9/20 0.58
GRIK2 Q13002 9/20 0.58
GRIK5 Q16478 7/20 0.58
GRIK3 Q13003 7/20 0.58
GRIK4 Q16099 4/20 0.58

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
SCHEMBL8676650 0.93 GRIA1 (0.73) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7666995 0.84 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8610384 0.84 GRIA1 (0.79) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8610087 0.82 GRIK1 (0.82) GRIA1GRIA2GRIA3GRIA4GRIK1
Sulfuric Acid SCHEMBL7484848 0.80 GRIA1 (0.73) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7668821 0.79 GRIA1 (0.79) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8791928 0.79 GRIA1 (0.69) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7480410 0.79 GRIK1 (0.80) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7668566 0.79 GRIA1 (0.75) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7811014 0.79 SLC22A6 (0.77) GRIA1GRIA2GRIA3GRIA4GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996019476-A1 NOVEL QUINOXALINES AND DRUGS PREPARED THEREFROM BASF AKTIENGESELLSCHAFT (DE) 1996-06-27 WO disclosed