SCHEMBL8346019

SCHEMBL8346019

O=c1[nH]c2cc(-n3ccnc3)c([N+](=O)[O-])cc2n(CCP(=O)(O)O)c1=O

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.66
SLC22A8 Q8TCC7 1/20 0.66
GRIK1 P39086 2/20 0.59
GRIK2 Q13002 2/20 0.59
GRIK3 Q13003 2/20 0.59
GRIK4 Q16099 2/20 0.59
GRIK5 Q16478 2/20 0.59
GRIA1 P42261 1/20 0.59
GRIA2 P42262 1/20 0.59
GRIA3 P42263 1/20 0.59
GRIA4 P48058 1/20 0.59

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
SCHEMBL8346068 0.96 SLC22A6 (0.72) SLC22A6SLC22A8GRIK1GRIK2GRIK3
SCHEMBL8340533 0.90 SLC22A6 (0.68) SLC22A6SLC22A8GRIK1GRIK2GRIK3
SCHEMBL8345467 0.87 SLC22A6 (0.61) SLC22A6SLC22A8GRIK1GRIK2GRIK3
SCHEMBL7352040 0.87 SLC22A6 (0.74) SLC22A6SLC22A8GRIK1GRIK2GRIK3
SCHEMBL8346027 0.84 SLC22A6 (0.65) SLC22A6SLC22A8GRIK1GRIK2GRIK3
SCHEMBL8192737 0.83 SLC22A6 (0.92) SLC22A6SLC22A8GRIK1GRIK2GRIK3
Hydrochloric Acid SCHEMBL8137201 0.83 SLC22A6 (0.75) SLC22A6SLC22A8GRIK1GRIK2GRIK3
SCHEMBL8189664 0.82 SLC22A6 (0.82) SLC22A6SLC22A8GRIK1GRIK2GRIK3
Hydrochloric Acid SCHEMBL8129889 0.82 SLC22A6 (0.72) SLC22A6SLC22A8GRIK1GRIK2GRIK3
SCHEMBL8346030 0.81 GRIK1 (0.59) SLC22A6SLC22A8GRIK1GRIK2GRIK3

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
US-5955461-A Quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1999-09-21 US disclosed
US-5750525-A Quinoxalinedione derivatives, their production and use in pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 1998-05-12 US disclosed