SCHEMBL8612927

SCHEMBL8612927

CC(C)(C)Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(C=O)c3)cc21

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 9/20 0.55
GRIK2 Q13002 9/20 0.55
GRIK5 Q16478 7/20 0.55
GRIK3 Q13003 7/20 0.55
GRIA1 P42261 6/20 0.55
GRIA2 P42262 6/20 0.55
GRIA3 P42263 6/20 0.55
GRIA4 P48058 6/20 0.55
GRIK4 Q16099 4/20 0.55

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
SCHEMBL8612849 0.89 GRIA1 (0.58) GRIK1GRIK2GRIK5GRIK3GRIA1
SCHEMBL8612853 0.89 GRIA1 (0.58) GRIK1GRIK2GRIK5GRIK3GRIA1
SCHEMBL8611636 0.86 GRIA1 (0.56) GRIK1GRIK2GRIK5GRIK3GRIA1
SCHEMBL8681277 0.85 GRIA1 (0.76) GRIK1GRIK2GRIK5GRIK3GRIA1
SCHEMBL8611264 0.85 GRIK1 (0.55) GRIK1GRIK2GRIK5GRIK3GRIA1
SCHEMBL8610384 0.83 GRIA1 (0.79) GRIK1GRIK2GRIK5GRIK3GRIA1
SCHEMBL8609423 0.79 GRIA1 (0.65) GRIK1GRIK2GRIK5GRIK3GRIA1
SCHEMBL8611278 0.77 GRIK1 (0.47) GRIK1GRIK2GRIK5GRIK3GRIA1
SCHEMBL8608799 0.75 GRIK1 (0.46) GRIK1GRIK2GRIK5GRIK3GRIA1
SCHEMBL8290910 0.75 GRIK1 (0.59) GRIK1GRIK2GRIK5GRIK3GRIA1

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