SCHEMBL16174493

SCHEMBL16174493

O=c1[nH]c(=O)n(O)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIA1 P42261 5/20 0.50
▸ GRIA2 P42262 5/20 0.50
▸ GRIA4 P48058 5/20 0.50
▸ GRIK5 Q16478 4/20 0.50
▸ GRIA3 P42263 4/20 0.42
▸ GRIK1 P39086 3/20 0.42
▸ GRIK2 Q13002 3/20 0.42
▸ GRIK3 Q13003 3/20 0.42
▸ GRIK4 Q16099 3/20 0.42
▸ GRIN2D O15399 2/20 0.42
▸ GRIN3B O60391 2/20 0.42
▸ GRIN1 Q05586 2/20 0.42
▸ GRIN2A Q12879 2/20 0.42
▸ GRIN2B Q13224 2/20 0.42
▸ GRIN2C Q14957 2/20 0.42
▸ GRIN3A Q8TCU5 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42

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
SCHEMBL23211167 0.77 GRIA1 (0.47) GRIA1GRIA2GRIA4GRIK5GRIA3
SCHEMBL7235118 0.77 GRIA1 (0.47) GRIA1GRIA2GRIA4GRIK5GRIA3
SCHEMBL22748998 0.73 GRIA1 (0.57) GRIA1GRIA2GRIA4GRIK5GRIA3
SCHEMBL11708335 0.73 GRIA1 (0.64) GRIA1GRIA2GRIA4GRIK5GRIA3
SCHEMBL7233498 0.70 GRIA1 (0.58) GRIA1GRIA2GRIA4GRIK5GRIA3
SCHEMBL10456669 0.70 GRIA1 (0.53) GRIA1GRIA2GRIA4GRIK5TSHR
SCHEMBL16167009 0.69 MAPT (0.43) GRIA1GRIA2GRIA4GRIK5GRIA3
SCHEMBL23211205 0.68 KMT2A (0.59) GRIA1GRIA2GRIA4GRIK5GRIA3
SCHEMBL5846928 0.67 HPGD (0.60) GRIA1GRIA2GRIA4GRIK5MAPT
SCHEMBL14530599 0.67 GRIA1 (0.41) GRIA1GRIA2GRIA4GRIK5GRIA3

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-2014168986-A1 THERAPEUTIC BENEFIT OF SUBOPTIMALLY ADMINISTERED CHEMICAL COMPOUNDS BROWN DENNIS M (US) 2014-10-16 — — WO disclosed
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