SCHEMBL8333731

SCHEMBL8333731

CN(CCOC1SC(=O)N(Cc2ccccc2)C1=O)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.46
RARG P13631 1/20 0.43
RXRA P19793 1/20 0.43
MAPT P10636 8/20 0.40
THRB P10828 2/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
PKM P14618 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 1/20 0.38
KMT2A Q03164 3/20 0.37
TP53 P04637 1/20 0.36
PPARA Q07869 2/20 0.36
ADRA2B P18089 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A3 Q01959 2/20 0.36
CHRM2 P08172 1/20 0.36
ADRA2A P08913 1/20 0.36

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
Fumaric Acid SCHEMBL8337457 0.93 PPARG (0.53) PPARGRARGRXRAMAPTTHRB
SCHEMBL2085262 0.79 MAPT (0.40) PPARGMAPTTHRBGAAALDH1A1
SCHEMBL8472017 0.75 POLB (0.45) MAPTTHRBGAAALDH1A1L3MBTL1
SCHEMBL3774754 0.75 MAPT (0.50) MAPTTHRBGAAALDH1A1POLB
SCHEMBL6032173 0.74 MAPT (0.54) MAPTTHRBGAAALDH1A1L3MBTL1
SCHEMBL6891679 0.73 PPARG (0.64) PPARGRARGRXRAMAPTGAA
SCHEMBL8689551 0.73 POLB (0.41) MAPTTHRBGAAALDH1A1KDM4E
SCHEMBL8472109 0.73 MAPT (0.42) MAPTTHRBGAAALDH1A1PKM
SCHEMBL8679131 0.72 MAPT (0.41) MAPTTHRBGAAALDH1A1KDM4E
SCHEMBL8659796 0.72 MAPT (0.43) PPARGMAPTTHRBGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5741803-A Substituted thiazolidinedionle derivatives SMITHKLINE BEECHAM PLC (GB) 1998-04-21 US claimed
US-5910592-A STABLE, WATER SOLUBLE COMPOUNDS USED FOR TREATMENT OF TYPE IIDIABETES, ATHEROSCLEROSIS AND EATING DISORDERS SMITHKLINE BEECHAM PLC (GB) 1999-06-08 US disclosed
US-5741803-A Substituted thiazolidinedionle derivatives SMITHKLINE BEECHAM PLC (GB) 1998-04-21 US disclosed