SCHEMBL6598946

SCHEMBL6598946

O=C(NCc1nccn1-c1cc2cc(C(=O)O)c(=O)[nH]c2cc1[N+](=O)[O-])Nc1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.44
GRIA2 P42262 3/20 0.44
GRIA3 P42263 3/20 0.44
GRIA4 P48058 3/20 0.44
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
GRIK3 Q13003 1/20 0.39
GRIK4 Q16099 1/20 0.39
GRIK5 Q16478 1/20 0.39
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL6597589 0.91 GRIA1 (0.40) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6600127 0.86 GRIA1 (0.47) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6598978 0.85 GRIA1 (0.47) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6597461 0.74 GRIA1 (0.58) GRIA1GRIA2GRIA3GRIA4
SCHEMBL6597213 0.73 GRIA1 (0.42) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6596000 0.72 GRIA1 (0.56) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6598151 0.71 FPR2 (0.39) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6595172 0.71 GRIA1 (0.48) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6597953 0.68 GRIK1 (0.36) GRIA1GRIA2GRIA3GRIA4GRIK1
SCHEMBL6604222 0.67 GRIA1 (0.39) GRIA1GRIA2GRIA3GRIA4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1156044-B1 6-SUBSTITUTED HETEROQUINOLINECARBOXYLIC ACID DERIVATIVES AND ADDITION SALTS THEREOF AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN SEIYAKU KK (JP) 2004-08-25 EP disclosed
US-6562839-B1 Effective for the therapy of disorder of cerebral nerve cells as antagonists against excitatory amino acid receptors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2003-05-13 US disclosed
EP-1156044-A1 6-SUBSTITUTED HETEROQUINOLINECARBOXYLIC ACID DERIVATIVES AND ADDITION SALTS THEREOF AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN PHARMACEUTICAL CO., LTD. (JP) 2001-11-21 EP disclosed