SCHEMBL8617409

SCHEMBL8617409

O=c1[nH]c2cc(Cl)cc(/C=C/CCP(=O)(O)O)c2[nH]c1=O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 14/20 0.54
GRIN2D O15399 12/20 0.54
GRIN3B O60391 12/20 0.54
GRIN2A Q12879 12/20 0.54
GRIN2B Q13224 12/20 0.54
GRIN2C Q14957 12/20 0.54
GRIN3A Q8TCU5 12/20 0.54
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
HSD17B10 Q99714 1/20 0.44

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
SCHEMBL8617412 1.00 GRIN1 (0.54) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8613818 0.87 GRIN1 (0.57) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8613822 0.87 GRIN1 (0.57) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8620316 0.85 GRIN1 (0.54) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8620313 0.85 GRIN1 (0.54) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8619230 0.82 GRIN2D (0.52) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8619227 0.82 GRIN2D (0.52) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8620541 0.80 GRIN1 (0.54) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8620537 0.80 GRIN1 (0.54) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B
SCHEMBL8620550 0.74 GRIN1 (0.74) GRIN1GRIN2DGRIN3BGRIN2AGRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0837864-A1 NOVEL QUINOXALINE- AND QUINOXALINYLALKANE-PHOSPHONIC ACIDS Novartis AG (CH) 1998-04-29 EP claimed
WO-1997003079-A1 NOVEL QUINOXALINE- AND QUINOXALINYLALKANE-PHOSPHONIC ACIDS NOVARTIS AG (CH) 1997-01-30 WO claimed
EP-0837864-A1 NOVEL QUINOXALINE- AND QUINOXALINYLALKANE-PHOSPHONIC ACIDS Novartis AG (CH) 1998-04-29 EP disclosed
WO-1997003079-A1 NOVEL QUINOXALINE- AND QUINOXALINYLALKANE-PHOSPHONIC ACIDS NOVARTIS AG (CH) 1997-01-30 WO disclosed