SCHEMBL9747137

SCHEMBL9747137

CC(=O)c1cccc2c1ccc1[nH]c(=O)c(=O)[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 5/20 0.42
GRIN3B O60391 5/20 0.42
GRIN1 Q05586 5/20 0.42
GRIN2A Q12879 5/20 0.42
GRIN2B Q13224 5/20 0.42
GRIN2C Q14957 5/20 0.42
GRIN3A Q8TCU5 5/20 0.42
KDM4E B2RXH2 5/20 0.41
PARP1 P09874 2/20 0.41
BRPF1 P55201 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
PBRM1 Q86U86 2/20 0.39
ALDH1A1 P00352 3/20 0.37
HPGD P15428 3/20 0.37
BRD4 O60885 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL38573232 0.75 KDM4E (0.55) KDM4EBRPF1PBRM1ALDH1A1HPGD
SCHEMBL7119411 0.75 KDM4E (0.55) KDM4EBRPF1PBRM1ALDH1A1HPGD
SCHEMBL8609148 0.73 PARP1 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9746936 0.73 KDM4E (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9747705 0.72 GRIA1 (0.62) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9747233 0.71 MAPT (0.51) PARP1HRH4ALDH1A1HPGDMAPT
SCHEMBL28721982 0.70 PDE3B (0.53) KDM4EHRH4PBRM1ALDH1A1HPGD
SCHEMBL159997 0.70 PBRM1 (0.57) KDM4EPBRM1ALDH1A1HPGDMAPT
SCHEMBL29593215 0.70 PDE3B (0.53) KDM4EHRH4PBRM1ALDH1A1HPGD
SCHEMBL9747095 0.70 KIF11 (0.50) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0511152-A2 Quinoxaline compounds, their preparation and use NOVO NORDISK A/S (DK) 1992-10-28 EP disclosed