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Sugi Predict / Compounds / SCHEMBL6650258

SCHEMBL6650258

SCHEMBL6650258

O=c1[nH]c2cc([N+](=O)[O-])cc(CNCCP(=O)(O)O)c2[nH]c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 1/20 0.69

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
Bromide SCHEMBL6652922 0.99 GRIN1 (0.67) GRIN1
SCHEMBL6652329 0.94 GRIN1 (0.65) GRIN1
Bromide SCHEMBL6652956 0.93 GRIN1 (0.64) GRIN1
SCHEMBL6650457 0.93 GRIN1 (0.64) GRIN1
Bromide SCHEMBL6652277 0.92 GRIN1 (0.62) GRIN1
SCHEMBL2391875 0.89 GRIN1 (0.70) GRIN1
Bromide SCHEMBL6648847 0.88 GRIN1 (0.69) GRIN1
SCHEMBL8567325 0.86 GRIN1 (0.60) GRIN1
Hydrochloric Acid SCHEMBL8086931 0.85 GRIN1 (0.58) GRIN1
SCHEMBL6648889 0.85 GRIN1 (0.62) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0853617-B1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 2004-03-03 — — EP 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
EP-0853617-B1 NOVEL 2,3-DIOXO-1,2,3,4-TETRAHYDRO-QUINOYXALINYL DERIVATIVES NOVARTIS AG (CH) 2004-03-03 — — EP disclosed