SCHEMBL8674468

SCHEMBL8674468

O=C(NCc1ccn(-c2cc3c(cc2[N+](=O)[O-])[nH]c(=O)c(=O)n3C2CCCCC2)c1)Nn1ccnc1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 8/20 0.54
GRIA2 P42262 8/20 0.54
GRIA3 P42263 8/20 0.54
GRIA4 P48058 8/20 0.54
GRIK1 P39086 5/20 0.52
GRIK2 Q13002 5/20 0.52
GRIK3 Q13003 4/20 0.52
GRIK5 Q16478 4/20 0.52
GRIK4 Q16099 1/20 0.52
SLC22A6 Q4U2R8 1/20 0.45
SLC22A8 Q8TCC7 1/20 0.45

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
SCHEMBL8675985 0.87 GRIA1 (0.71) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8674107 0.86 GRIA1 (0.71) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8674102 0.84 GRIA1 (0.72) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7482233 0.83 GRIA1 (0.52) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8674016 0.80 GRIA1 (0.64) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8674811 0.80 GRIA1 (0.61) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7480931 0.80 GRIA1 (0.61) GRIA1GRIA2GRIA3GRIA4GRIK1
Sulfuric Acid SCHEMBL8138611 0.77 SLC22A6 (0.57) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7665623 0.76 GRIA1 (0.66) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8672407 0.75 GRIK1 (0.69) 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
US-5849743-A Quinoxalines and drugs prepared therefrom BASF AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed