SCHEMBL7480413

SCHEMBL7480413

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

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 9/20 0.60
GRIA2 P42262 9/20 0.60
GRIA3 P42263 9/20 0.60
GRIA4 P48058 9/20 0.60
GRIK1 P39086 5/20 0.54
GRIK2 Q13002 5/20 0.54
GRIK3 Q13003 5/20 0.54
GRIK4 Q16099 5/20 0.54
GRIK5 Q16478 5/20 0.54
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
GRIN2D O15399 1/20 0.43
GRIN3B O60391 1/20 0.43
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
GRIN2C Q14957 1/20 0.43
GRIN3A Q8TCU5 1/20 0.43
PARP1 P09874 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43

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
SCHEMBL8613199 0.90 GRIK1 (0.67) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8192778 0.87 GRIA1 (0.61) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7802413 0.85 GRIA1 (0.64) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7484219 0.85 GRIA1 (0.61) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7478349 0.83 GRIA1 (0.64) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8610104 0.82 GRIA1 (0.64) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8128429 0.80 CA12 (0.46) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8612722 0.80 GRIA1 (0.78) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL7487740 0.80 CA12 (0.50) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL8610087 0.79 GRIK1 (0.82) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0799224-B1 QUINOXALINES AND DRUGS PREPARED THEREFROM BASF AG (DE) 2002-04-17 EP disclosed
US-6277850-B1 EFFICIENCY, BIOCOMPATIBILITY, TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ABBOTT LABORATORIES 2001-08-21 US disclosed
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-0799224-A1 NOVEL QUINOXALINES AND DRUGS PREPARED THEREFROM BASF AKTIENGESELLSCHAFT (DE) 1997-10-08 EP disclosed
WO-1996019476-A1 NOVEL QUINOXALINES AND DRUGS PREPARED THEREFROM BASF AKTIENGESELLSCHAFT (DE) 1996-06-27 WO disclosed
EP-0572852-A1 Quinoxalin-2,3(1H,4H)-diones used as medicine BASF Aktiengesellschaft (DE) 1993-12-08 EP disclosed