SCHEMBL8090422

SCHEMBL8090422

COc1cc(C(=O)NCc2cc([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)cc(OC)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.54

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
SCHEMBL8078815 0.92 GRIN1 (0.54) GRIN1
SCHEMBL8085835 0.81
SCHEMBL8500263 0.80 GRIN1 (0.64) GRIN1
SCHEMBL5973546 0.80 GRIN1 (0.65) GRIN1
SCHEMBL8085903 0.80 GRIN1 (0.58) GRIN1
Bromide SCHEMBL5973502 0.79 GRIN1 (0.64) GRIN1
SCHEMBL8086995 0.79 GRIN1 (0.63) GRIN1
SCHEMBL8085864 0.78 GRIN1 (0.52) GRIN1
SCHEMBL8078902 0.78
SCHEMBL8078793 0.77 GRIN1 (0.57) 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
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
EP-0853617-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES Novartis AG (CH) 1998-07-22 EP disclosed
WO-1997008155-A1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 1997-03-06 WO disclosed