SCHEMBL8613199

SCHEMBL8613199

CCOC(=O)CCn1c(=O)c(=O)[nH]c2cc(C(F)(F)F)c([N+](=O)[O-])cc21

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.67
GRIK2 Q13002 3/20 0.67
GRIK3 Q13003 3/20 0.67
GRIK4 Q16099 3/20 0.67
GRIK5 Q16478 3/20 0.67
GRIA1 P42261 4/20 0.49
GRIA2 P42262 4/20 0.49
GRIA3 P42263 4/20 0.49
GRIA4 P48058 4/20 0.49
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
PARP1 P09874 1/20 0.42

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
SCHEMBL7480413 0.90 GRIA1 (0.60) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8191679 0.85 GRIK1 (0.73) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8610630 0.84 GRIK1 (0.53) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8128429 0.83 CA12 (0.46) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL7487740 0.82 CA12 (0.50) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8609560 0.81 GRIK1 (0.69) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8612182 0.81 GRIA1 (0.69) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL30661076 0.80 GRIK1 (0.65) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8190512 0.80 GRIK1 (0.65) GRIK1GRIK2GRIK3GRIK4GRIK5
SCHEMBL8196324 0.78 GRIK1 (0.63) 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