SCHEMBL9037873

SCHEMBL9037873

O=c1cnc2c(Cl)cc(Cl)cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
GRIN2D O15399 8/20 0.48
GRIN3B O60391 8/20 0.48
GRIN1 Q05586 8/20 0.48
GRIN2A Q12879 8/20 0.48
GRIN2B Q13224 8/20 0.48
GRIN2C Q14957 8/20 0.48
GRIN3A Q8TCU5 8/20 0.48
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ADORA3 P0DMS8 1/20 0.42
ADORA1 P30542 1/20 0.42
CBFB Q13951 1/20 0.42
EGLN1 Q9GZT9 1/20 0.40
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
PABPC1 P11940 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9054998 0.82 GRIN2D (0.52) HTTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL19782954 0.82 RPS6KA3 (0.39) HTTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL8873815 0.79 CA12 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29650339 0.74 PSMB8 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL2359356 0.74 PSMB8 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8692333 0.73 GRIN2D (0.50) HTTGRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL9228663 0.70 MAPKAPK2 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30637065 0.70 MAPKAPK2 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16671449 0.70 MAPKAPK2 (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9039429 0.70 ALDH1A1 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0518530-B1 Improvements in or relating to excitatory amino acid receptor antagonists LILLY CO ELI (US) 1996-10-09 EP disclosed
EP-0520024-B1 QUINOXALINE COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK AS (DK) 1996-06-19 EP disclosed
US-5196421-A Treatment of neurological disorders ELI LILLY AND COMPANY (US) 1993-03-23 US disclosed
EP-0520024-A1 QUINOXALINE COMPOUNDS AND THEIR PREPARATION AND USE. NOVO NORDISK AS (DK) 1992-12-30 EP disclosed
EP-0518530-A2 Improvements in or relating to excitatory amino acid receptor antagonists ELI LILLY AND COMPANY (US) 1992-12-16 EP disclosed
US-5166155-A Neurological or psychiatric diseases NOVO NORDISK A/S (DK) 1992-11-24 US disclosed
US-5153196-A Administering for reduction of neurotransmission in nervous system disorders ELI LILLY AND COMPANY (US) 1992-10-06 US disclosed
WO-1991013878-A1 QUINOXALINE COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1991-09-19 WO disclosed