SCHEMBL9389319

SCHEMBL9389319

Cc1cc2c(=O)cc(O)c(=O)[nH]c2cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.56
GRIN3B O60391 4/20 0.56
GRIN1 Q05586 4/20 0.56
GRIN2A Q12879 4/20 0.56
GRIN2B Q13224 4/20 0.56
GRIN2C Q14957 4/20 0.56
GRIN3A Q8TCU5 4/20 0.56
DAO P14920 7/20 0.47
DDO Q99489 2/20 0.47
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
THPO P40225 1/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41

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
SCHEMBL7352458 0.86 DAO (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9389842 0.81 DAO (0.47) DAODDOKDM4EALDH1A1MAPT
SCHEMBL9389273 0.74 GRIN2D (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9390082 0.74 DAO (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9388981 0.73 DAO (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL7350621 0.73 DAO (0.65) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3359995 0.73 DAO (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9387738 0.73 DAO (0.65) DAODDOKDM4EMEN1ALDH1A1
SCHEMBL9007825 0.73 DAO (0.65) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9387632 0.73 DAO (0.65) DAODDOKDM4EMEN1ALDH1A1

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
WO-1994007500-A1 2,5-DIHYDRO-2,5-DIOXO-1H-AZEPINES AND 2,5-DIHYDRO-2-OXO-1H-AZEPINES AND THE USE THEREOF AS EXCITATORY AMINO ACID AND GLYCINE RECEPTOR ANTAGONISTS WEBER ECKARD (US) 1994-04-14 WO disclosed