SCHEMBL9502839

SCHEMBL9502839

CCc1cc(Br)c2c(=O)cc(OC(=O)O)[nH]c2c1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 5/20 0.33
THRA P10827 4/20 0.33
DAO P14920 1/20 0.31
GPR17 Q13304 1/20 0.30

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
SCHEMBL9500270 0.84 MEN1 (0.42) GPR17
SCHEMBL9499194 0.83 GPR17 (0.33) GPR17
SCHEMBL9499303 0.82 KDM4E (0.35) THRBTHRAGPR17
SCHEMBL9500217 0.80 MEN1 (0.44)
SCHEMBL9452365 0.80 MEN1 (0.48)
SCHEMBL9500993 0.78 KDM4E (0.37) GPR17
SCHEMBL9501376 0.77 GRIN1 (0.43)
SCHEMBL9452362 0.76 KDM4E (0.46)
SCHEMBL9499178 0.74 EGLN1 (0.33) THRBGPR17
SCHEMBL9501069 0.73 DAO (0.40) DAO

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