SCHEMBL9019035

SCHEMBL9019035

O=c1[nH]c2cc(-n3ccnc3)cc([N+](=O)[O-])c2[nH]c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 4/20 0.63
GRIA2 P42262 4/20 0.63
GRIA3 P42263 4/20 0.63
GRIA4 P48058 4/20 0.63
GRIK1 P39086 1/20 0.63
GRIK2 Q13002 1/20 0.63
GRIK3 Q13003 1/20 0.63
GRIK4 Q16099 1/20 0.63
GRIK5 Q16478 1/20 0.63
GRIN2D O15399 2/20 0.51
GRIN3B O60391 2/20 0.51
GRIN1 Q05586 2/20 0.51
GRIN2A Q12879 2/20 0.51
GRIN2B Q13224 2/20 0.51
GRIN2C Q14957 2/20 0.51
GRIN3A Q8TCU5 2/20 0.51

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
SCHEMBL8142967 0.80 GRIA1 (0.52) GRIA1GRIA2GRIA3GRIA4GRIK1
Ym-90K SCHEMBL678466 0.79 GRIA1 (0.97) GRIA1GRIA2GRIA3GRIA4GRIK1
Water SCHEMBL8143827 0.79 GRIA1 (0.51) GRIA1GRIA2GRIA3GRIA4GRIK1
Ym-90K SCHEMBL2049549 0.77 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4GRIK1
Ym-90K SCHEMBL29798088 0.77 GRIA1 (1.00) GRIA1GRIA2GRIA3GRIA4GRIK1
Ym-90K SCHEMBL29384442 0.76 GRIA1 (0.97) GRIA1GRIA2GRIA3GRIA4GRIK1
Ym-90K SCHEMBL1055529 0.76 GRIA1 (0.97) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8911318 0.76 GRIA1 (0.47) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8128823 0.75 GRIA1 (0.64) GRIA1GRIA2GRIA3GRIA4GRIK1
Water SCHEMBL8136167 0.75 SLC22A6 (0.49) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8003160-A None JP disclosed
JP-8003161-A None JP disclosed
JP-H083161-A METHOD FOR SEPARATING 6-(1-H-IMIDAZOL-1-YL)-7-NITRO-2,3(1H,4H)-QUINOXALINEDIONE NIPPON KAYAKU CO LTD 1996-01-09 JP disclosed
JP-H083160-A METHOD FOR SEPARATING AND PURIFYING 6-(1-H-IMIDAZOL-1-YL)-7-NITRO-2,3-(1H,4H)-QUINOXALINEDIONE HYDROCHLORIDE OR SULFATE NIPPON KAYAKU CO LTD 1996-01-09 JP disclosed