SCHEMBL8679131

SCHEMBL8679131

CC(COC1SC(=O)N(Cc2ccccc2)C1=O)Nc1ccccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
GAA P10253 3/20 0.41
THRB P10828 2/20 0.41
POLB P06746 2/20 0.41
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.36
HTT P42858 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALDH1A1 P00352 6/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
PAX8 Q06710 1/20 0.35
NPY1R P25929 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
DRD2 P14416 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
SCHEMBL8857706 0.75 KMT2A (0.52) MAPTGAATHRBPOLBALDH1A1
SCHEMBL6032173 0.73 MAPT (0.54) MAPTGAATHRBPOLBTP53
SCHEMBL8679125 0.73 KDM4E (0.40) MAPTPOLBL3MBTL1HTTKDM4E
SCHEMBL1269268 0.73 MAPT (0.41) MAPTGAATHRBPOLBTP53
SCHEMBL8333731 0.72 PPARG (0.46) MAPTGAATHRBPOLBTP53
SCHEMBL2085262 0.72 MAPT (0.40) MAPTGAATHRBPOLBTP53
SCHEMBL8472017 0.72 POLB (0.45) MAPTGAATHRBPOLBTP53
SCHEMBL8857395 0.72 POLB (0.38) MAPTGAATHRBPOLBTP53
SCHEMBL7469304 0.71 POLB (0.55) MAPTGAATHRBPOLBTP53
SCHEMBL9545693 0.70 MAPT (0.42) 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
US-5798375-A ADMINISTERING TO THE PATIENT PREVASTATIN A HYDROXY-3-METHYL-GLUTARYL/3-/ COENZYME A REDUCTASE INHIBITOR AND A INSULIN SENSITIZER TROGLITAZONE SANKYO COMPANY, LIMITED (JP) 1998-08-25 US disclosed