SCHEMBL28043513

SCHEMBL28043513

Clc1ccc(OCc2nnc(SCc3ccccc3)n2-c2ccccc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 6/20 0.84
NPC1 O15118 1/20 0.69
NPSR1 Q6W5P4 5/20 0.69
GAA P10253 3/20 0.69
KMT2A Q03164 2/20 0.69
MEN1 O00255 1/20 0.69
HTT P42858 3/20 0.66
SMN1; SMN2 Q16637 3/20 0.65
ALDH1A1 P00352 3/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
LMNA P02545 2/20 0.65
MAPT P10636 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
VCP P55072 3/20 0.62

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
SCHEMBL16409978 0.91 SIRT2 (1.00) SIRT2NPSR1GAAKMT2AMEN1
SCHEMBL4206437 0.82 SMN1; SMN2 (0.78) SIRT2NPSR1KMT2AMEN1HTT
SCHEMBL16409971 0.82 SIRT2 (1.00) SIRT2NPSR1GAAKMT2AMEN1
SCHEMBL6404280 0.81 SIRT2 (0.72) SIRT2NPC1NPSR1GAAKMT2A
SCHEMBL17679308 0.81 SIRT2 (1.00) SIRT2NPSR1GAAKMT2AMEN1
SCHEMBL6404099 0.79 NPSR1 (0.65) SIRT2NPC1NPSR1GAAKMT2A
SCHEMBL16409996 0.79 SIRT2 (1.00) SIRT2NPSR1GAAKMT2AMEN1
SCHEMBL6405387 0.79 SIRT2 (0.72) SIRT2NPSR1GAAKMT2AMEN1
SCHEMBL6407109 0.77 SIRT2 (1.00) SIRT2NPSR1GAAKMT2AMEN1
SCHEMBL6408137 0.76 SIRT2 (0.69) SIRT2NPSR1GAAKMT2AMEN1

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
CN-105130917-A 1,2,4-triazolothio-ether derivative as well as preparation and application thereof UNIV ZHEJIANG TECHNOLOGY 2015-12-09 CN disclosed