SCHEMBL8086995

SCHEMBL8086995

CC(=O)NCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12

nearest known ligand 0.68

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.63

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
SCHEMBL8183439 0.92 GRIN1 (0.67) GRIN1
SCHEMBL8500263 0.91 GRIN1 (0.64) GRIN1
SCHEMBL8566618 0.89 GRIN1 (0.57) GRIN1
Bromide SCHEMBL8087370 0.88 GRIN1 (0.56) GRIN1
SCHEMBL8090401 0.88 GRIN1 (0.55) GRIN1
SCHEMBL8087209 0.86
SCHEMBL8085903 0.85 GRIN1 (0.58) GRIN1
SCHEMBL8078793 0.84 GRIN1 (0.57) GRIN1
SCHEMBL8085835 0.84
SCHEMBL8085765 0.84 GRIN1 (0.65) GRIN1

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
CN-1193968-A 2,3-dioxo-1,2,3,4-tetrahydro-quinoyxalinyl derivatives NOVARTIS AG (CH) 1998-09-23 CN claimed
EP-0853617-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES Novartis AG (CH) 1998-07-22 EP claimed
WO-1997008155-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 1997-03-06 WO claimed
US-6080743-A AS CHEMICAL INTERMEIDATES FOR PREPARING DRUGS NOVARTIS AG (CH) 2000-06-27 US disclosed
CN-1197452-A Azetidinone derivatives for treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 1998-10-28 CN disclosed