SCHEMBL9545693

SCHEMBL9545693

CCc1cccnc1C(C)OC1SC(=O)N(Cc2ccccc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
GAA P10253 3/20 0.42
THRB P10828 2/20 0.42
POLB P06746 2/20 0.40
TP53 P04637 1/20 0.36
ALDH1A1 P00352 4/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 1/20 0.33
PAX8 Q06710 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 1/20 0.33

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
SCHEMBL8472017 0.77 POLB (0.45) MAPTGAATHRBPOLBTP53
SCHEMBL1269268 0.76 MAPT (0.41) MAPTGAATHRBPOLBTP53
SCHEMBL2085262 0.75 MAPT (0.40) MAPTGAATHRBPOLBTP53
SCHEMBL3774750 0.73 POLB (0.46) MAPTGAATHRBPOLBTP53
SCHEMBL6032173 0.72 MAPT (0.54) MAPTGAATHRBPOLBTP53
SCHEMBL7469304 0.71 POLB (0.55) MAPTGAATHRBPOLBTP53
SCHEMBL8679131 0.70 MAPT (0.41) MAPTGAATHRBPOLBTP53
SCHEMBL8472109 0.69 MAPT (0.42) MAPTGAATHRBPOLBTP53
SCHEMBL8333731 0.67 PPARG (0.46) MAPTGAATHRBPOLBTP53
SCHEMBL8421439 0.67 PPARG (0.43) MAPTGAATHRBPOLBTP53

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
WO-1993022445-A1 A PROCESS FOR PRODUCING PIOGLITAZONE METABOLITE THE UPJOHN COMPANY (US) 1993-11-11 WO disclosed