SCHEMBL9502853

SCHEMBL9502853

Cc1cc(I)c2c(=O)cc(OC(=O)O)[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.35
GRIN3B O60391 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2A Q12879 2/20 0.35
GRIN2B Q13224 2/20 0.35
GRIN2C Q14957 2/20 0.35
GRIN3A Q8TCU5 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
GPR17 Q13304 3/20 0.35

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
SCHEMBL9499247 0.85 KDM4E (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9499303 0.83 KDM4E (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9499688 0.83 MEN1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9500993 0.82 KDM4E (0.37) KDM4EPOLBMAPTGPR17
SCHEMBL9500182 0.80 GPR17 (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9452248 0.78 MEN1 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9499178 0.74 EGLN1 (0.33) KDM4EPOLBMAPTGPR17
SCHEMBL9499254 0.74 MEN1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9393329 0.73 DAO (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL9452218 0.72 KDM4E (0.50) KDM4EMAPT

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-0303387-B1 KYNURENIC ACID DERIVATIVES USEFUL IN THE TREATMENT OF NEURODEGENERATIVE DISORDERS MERCK SHARP & DOHME LTD. (GB) 1993-04-21 EP claimed