SCHEMBL8609604

SCHEMBL8609604

CCn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3cccc3)cc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 5/20 0.78
GRIK2 Q13002 5/20 0.78
GRIK3 Q13003 5/20 0.78
GRIK4 Q16099 5/20 0.78
GRIK5 Q16478 5/20 0.78
GRIA1 P42261 3/20 0.78
GRIA2 P42262 3/20 0.78
GRIA3 P42263 3/20 0.78
GRIA4 P48058 3/20 0.78
SLC22A6 Q4U2R8 1/20 0.59
SLC22A8 Q8TCC7 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
SCHEMBL8613051 0.95 GRIK1 (0.71) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8609255 0.89 GRIK1 (0.69) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8611517 0.87 GRIK1 (1.00) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8610087 0.84 GRIK1 (0.82) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8609541 0.84 GRIK1 (0.74) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8296805 0.82 GRIK1 (0.63) GRIK1GRIK2GRIK3GRIK4GRIK5
Sulfuric Acid SCHEMBL8205098 0.81 SLC22A6 (0.76) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8610328 0.81 GRIK1 (0.75) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8609152 0.80 GRIA1 (0.55) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8611573 0.79 GRIK1 (0.72) GRIK1GRIK2GRIK3GRIK4GRIK5

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
US-5852017-A 2,3(1H,4H)-quinoxalinediones BASF AKTIENGESELLSCHAFT (DE) 1998-12-22 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