SCHEMBL7352040

SCHEMBL7352040

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

nearest known ligand 0.75

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.74
SLC22A8 Q8TCC7 1/20 0.74
GRIK1 P39086 1/20 0.61
GRIA1 P42261 1/20 0.61
GRIA2 P42262 1/20 0.61
GRIA3 P42263 1/20 0.61
GRIA4 P48058 1/20 0.61
GRIK2 Q13002 1/20 0.61
GRIK3 Q13003 1/20 0.61
GRIK4 Q16099 1/20 0.61
GRIK5 Q16478 1/20 0.61

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
SCHEMBL8340533 0.96 SLC22A6 (0.68) SLC22A6SLC22A8GRIK1GRIA1GRIA2
SCHEMBL8346068 0.90 SLC22A6 (0.72) SLC22A6SLC22A8GRIK1GRIA1GRIA2
SCHEMBL8346019 0.87 SLC22A6 (0.66) SLC22A6SLC22A8GRIK1GRIA1GRIA2
Hydrochloric Acid SCHEMBL8137201 0.85 SLC22A6 (0.75) SLC22A6SLC22A8GRIK1GRIA1GRIA2
Zonampanel SCHEMBL678832 0.85 SLC22A6 (1.00) SLC22A6SLC22A8GRIK1GRIA1GRIA2
Zonampanel SCHEMBL29379917 0.85 SLC22A6 (1.00) SLC22A6SLC22A8GRIK1GRIA1GRIA2
Zonampanel SCHEMBL3045139 0.84 SLC22A6 (0.98) SLC22A6SLC22A8GRIK1GRIA1GRIA2
SCHEMBL7814578 0.84 SLC22A6 (0.84) SLC22A6SLC22A8GRIK1GRIA1GRIA2
Sulfuric Acid SCHEMBL8205098 0.83 SLC22A6 (0.76) SLC22A6SLC22A8GRIK1GRIA1GRIA2
SCHEMBL8189664 0.83 SLC22A6 (0.82) SLC22A6SLC22A8GRIK1GRIA1GRIA2

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-6288065-B1 CENTRAL NERVOUS SYSTEM DISORDERS; PARKINSON*S AND ALZHEIMER*S DISEASE SCHERING AKTIENGESEELLSCHAFT (DE) 2001-09-11 US disclosed
US-6057304-A Quinoxaline-phosphonic acid derivatives SCHERING AKTIENGESELLSCHAFT (DE) 2000-05-02 US disclosed