SCHEMBL7512841

SCHEMBL7512841

Cc1c(C(=O)O)nc2c(=O)[nH]c3cc([N+](=O)[O-])c(-n4ccnc4)cc3n12

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.59
SLC22A8 Q8TCC7 1/20 0.59
GRIK1 P39086 1/20 0.57
GRIA1 P42261 1/20 0.57
GRIA2 P42262 1/20 0.57
GRIA3 P42263 1/20 0.57
GRIA4 P48058 1/20 0.57
GRIK2 Q13002 1/20 0.57
GRIK3 Q13003 1/20 0.57
GRIK4 Q16099 1/20 0.57
GRIK5 Q16478 1/20 0.57

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
SCHEMBL8036286 0.89 CHEK1 (0.67) SLC22A6SLC22A8
SCHEMBL8034183 0.84 CHEK1 (0.53) GRIA1GRIA2GRIA3GRIA4
SCHEMBL8038375 0.83 GRIA1 (0.46) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL8038353 0.82 GRIA1 (0.53) GRIK1GRIA1GRIA2GRIA3GRIA4
SCHEMBL9056844 0.82 SLC22A6 (0.53) SLC22A6SLC22A8GRIK1GRIA1GRIA2
SCHEMBL7509983 0.79 ADH5 (0.42)
SCHEMBL6604714 0.79 GRIA1 (0.66) SLC22A6SLC22A8GRIK1GRIA1GRIA2
SCHEMBL8911643 0.78 GRIK1 (0.65) SLC22A6SLC22A8GRIK1GRIA1GRIA2
SCHEMBL8554054 0.76 CHEK1 (0.52)
SCHEMBL8558597 0.76 CHEK1 (0.52)

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-0743945-B1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 2002-03-06 EP disclosed
US-6121265-A EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS BASF AKTIENGESELLSCHAFT (DE) 2000-09-19 US disclosed
US-5741785-A IMIDAZOLO(1,2-A)QUINOXALINONE COMPOUNDS; ANTIISCHEMIC AGENTS; NERVOUS SYSTEM DISORDERS NOVO NORDISK A/S (DK) 1998-04-21 US disclosed
EP-0743945-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1996-11-27 EP disclosed
WO-1995021842-A1 HETEROCYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1995-08-17 WO disclosed