SCHEMBL8610104

SCHEMBL8610104

CCOC(=O)Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(N)cc21

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 7/20 0.64
GRIA2 P42262 7/20 0.64
GRIA3 P42263 7/20 0.64
GRIA4 P48058 7/20 0.64
GRIK1 P39086 5/20 0.59
GRIK2 Q13002 5/20 0.59
GRIK5 Q16478 5/20 0.59
GRIK3 Q13003 4/20 0.59
GRIK4 Q16099 4/20 0.59
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
SLC22A6 Q4U2R8 1/20 0.47
SLC22A8 Q8TCC7 1/20 0.47

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
SCHEMBL7802413 0.87 GRIA1 (0.64) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8192778 0.85 GRIA1 (0.61) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7484219 0.85 GRIA1 (0.61) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7482751 0.84 GRIA1 (0.69) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8610087 0.84 GRIK1 (0.82) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8609152 0.83 GRIA1 (0.55) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7480413 0.82 GRIA1 (0.60) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL9092206 0.81 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7811014 0.80 SLC22A6 (0.77) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7478349 0.80 GRIA1 (0.64) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5852017-A 2,3(1H,4H)-quinoxalinediones BASF AKTIENGESELLSCHAFT (DE) 1998-12-22 US disclosed
US-5849743-A Quinoxalines and drugs prepared therefrom BASF AKTIENGESELLSCHAFT (DE) 1998-12-15 US disclosed
EP-0572852-B1 Quinoxalin-2,3(1H,4H)-diones used as medicine BASF AG (DE) 1998-10-21 EP disclosed
US-5714489-A 2,3(1H,4H)quinoxalinedione BASF AKTIENGESELLSCHAFT (DE) 1998-02-03 US disclosed
EP-0572852-A1 Quinoxalin-2,3(1H,4H)-diones used as medicine BASF Aktiengesellschaft (DE) 1993-12-08 EP disclosed