SCHEMBL8916260

SCHEMBL8916260

COC(=O)Cn1c(SCc2nccc(SCCN3CCOCC3)c2C)nc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.54
HSD17B10 Q99714 3/20 0.52
NPC1 O15118 1/20 0.52
AR P10275 1/20 0.51
TP53 P04637 2/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
GAA P10253 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL5109272 0.91 CYP3A4 (0.52) MAPTTP53CYP3A4CYP2C19ALDH1A1
SCHEMBL8915650 0.89 CYP3A4 (0.48) MAPTHSD17B10TP53CYP3A4CYP2C19
SCHEMBL8914024 0.87 L3MBTL1 (0.45) MAPTHSD17B10TP53GAAL3MBTL1
SCHEMBL8914486 0.87 KDM4E (0.49) MAPTHSD17B10TP53CYP3A4CYP2C19
SCHEMBL8914183 0.84 GAA (0.50) MAPTNPC1GAAL3MBTL1ALDH1A1
SCHEMBL5106665 0.81 PDE10A (0.43) MAPTHSD17B10TP53CYP3A4CYP2C19
SCHEMBL5120357 0.80 PDE10A (0.42) MAPTHSD17B10TP53CYP3A4CYP2C19
SCHEMBL8914963 0.75 L3MBTL1 (0.43) GAAL3MBTL1ALDH1A1KDM4ETSHR
SCHEMBL8916044 0.73 USP2 (0.49) MAPTHSD17B10NPC1TP53GAA
SCHEMBL8915606 0.73 RAB9A (0.69) MAPTHSD17B10NPC1CYP3A4CYP2C19

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-5616581-A BACTERICIDES YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-04-01 US disclosed
US-5504082-A BACTERICIDE FOR HELICOBACTER, ANTIULCER AGENT, GASTRIC ACIDSUPPRESSOR YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-04-02 US disclosed
EP-0644191-A1 PYRIDINE COMPOUND AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1995-03-22 EP disclosed