SCHEMBL6607161

SCHEMBL6607161

CS(=O)(=O)c1cc2[nH]c(=O)c(C(=O)O)nc2cc1F

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 3/20 0.56
GRIN3B O60391 3/20 0.56
GRIA1 P42261 3/20 0.56
GRIA2 P42262 3/20 0.56
GRIA3 P42263 3/20 0.56
GRIA4 P48058 3/20 0.56
GRIN1 Q05586 3/20 0.56
GRIN2A Q12879 3/20 0.56
GRIN2B Q13224 3/20 0.56
GRIN2C Q14957 3/20 0.56
GRIN3A Q8TCU5 3/20 0.56
GRIK1 P39086 2/20 0.56
GRIK2 Q13002 2/20 0.56
GRIK3 Q13003 2/20 0.56
GRIK4 Q16099 2/20 0.56
GRIK5 Q16478 2/20 0.56
LMNA P02545 1/20 0.56
EGLN1 Q9GZT9 7/20 0.51

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
SCHEMBL11353502 0.84 GRIN2D (0.67) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL6602314 0.79 GRIN2D (0.60) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL6697800 0.75 GRIN2D (0.67) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL6603624 0.75 GRIN2D (0.70) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL6602538 0.75 GRIA1 (0.55) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL1192914 0.73 EGLN1 (0.92) EGLN1
SCHEMBL9703672 0.73 LMNA (0.59) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL9703415 0.72 GRIN2D (0.67) GRIN2DGRIN3BGRIA1GRIA2GRIA3
SCHEMBL11357182 0.72 GRIN2D (0.67) GRIN2DGRIN3BGRIA1GRIA2GRIA3
6,7-Dichloro-3-Hydroxy-2-Quinoxalinecarboxylic Acid SCHEMBL6697845 0.72 GRIN2D (1.00) GRIN2DGRIN3BGRIA1GRIA2GRIA3

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