SCHEMBL6602084

SCHEMBL6602084

O=C(O)c1nc2cc(NCc3cccc([N+](=O)[O-])c3)c([N+](=O)[O-])cc2[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
GAA P10253 1/20 0.43
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43

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
SCHEMBL6601779 0.76 GRIN2D (0.43)
SCHEMBL27778811 0.74 MAPT (0.55) MEN1MAPTKMT2AGAAIDO1
SCHEMBL6602342 0.73 GRIA1 (0.55) MAPT
SCHEMBL9704143 0.73 MEN1 (0.58) MEN1MAPTKMT2A
SCHEMBL8374099 0.72 GRIN2D (0.50)
SCHEMBL6605007 0.72 MAPT (0.50) MEN1MAPTKMT2AGAA
SCHEMBL6602535 0.71 GRIA1 (0.55) MAPT
SCHEMBL6602022 0.71 GRIN2D (0.55)
SCHEMBL6608200 0.71 GRIN2D (0.70) MAPT
SCHEMBL6602538 0.71 GRIA1 (0.55) MAPT

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-1020453-B1 6,7-ASYMMETRICALLY DISUBSTITUTED QUINOXALINECARBOXYLIC ACID DERIVATIVES, ADDITION SALTS THEREOF, AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN SEIYAKU KK (JP) 2004-05-19 EP disclosed
US-6348461-B1 CENTRAL NERVOUS SYSTEM ANTAGONIST WITH HETEROCYCLIC SUBSTITUENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-1020453-A1 6,7-ASYMMETRICALLY DISUBSTITUTED QUINOXALINECARBOXYLIC ACID DERI VATIVES, ADDITION SALTS THEREOF, AND PROCESSES FOR THE PREPARATION OF BOTH KYORIN PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed