SCHEMBL2085262

SCHEMBL2085262

CC(OC1SC(=O)N(Cc2ccccc2)C1=O)N(C)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
THRB P10828 2/20 0.40
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 4/20 0.37
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
CHRM2 P08172 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34

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
SCHEMBL8333731 0.79 PPARG (0.46) MAPTTHRBGAAPOLBALDH1A1
SCHEMBL9545693 0.75 MAPT (0.42) MAPTTHRBGAAPOLBALDH1A1
Fumaric Acid SCHEMBL8337457 0.74 PPARG (0.53) MAPTTHRBGAAPOLBALDH1A1
SCHEMBL1269268 0.73 MAPT (0.41) MAPTTHRBGAAPOLBALDH1A1
SCHEMBL3774750 0.73 POLB (0.46) MAPTTHRBGAAPOLBALDH1A1
SCHEMBL8679131 0.72 MAPT (0.41) MAPTTHRBGAAPOLBALDH1A1
SCHEMBL4034343 0.72 PPARG (0.46) MAPTTHRBGAAALDH1A1CYP2C19
SCHEMBL7469304 0.71 POLB (0.55) MAPTTHRBGAAPOLBALDH1A1
SCHEMBL6032173 0.69 MAPT (0.54) MAPTTHRBGAAPOLBALDH1A1
SCHEMBL8472017 0.67 POLB (0.45) MAPTTHRBGAAPOLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7973063-B2 Methods for activating PPAR gamma-type receptors GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-07-05 US disclosed
US-7863332-B2 Biaromatic compound activators of PPARγ receptors and cosmetic/pharmaceutical compositions comprised thereof GALDERMA RESEARCH & DEVELOPMENT (FR) 2011-01-04 US disclosed