SCHEMBL238446

SCHEMBL238446

CC(CC#N)SC(=S)c1ccc(C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GSK3B P49841 2/20 0.38
CA2 P00918 3/20 0.37
CA1 P00915 2/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
CYP2A6 P11509 2/20 0.35
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34
CA6 P23280 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
SLC6A3 Q01959 1/20 0.34
NR3C2 P08235 1/20 0.34
LOXL2 Q9Y4K0 1/20 0.33
AR P10275 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
SCHEMBL236793 0.84 TTR (0.32)
SCHEMBL2791417 0.83 MAOB (0.36) ALDH1A1MAPT
SCHEMBL23600062 0.81 GSK3B (0.43) MEN1KMT2AGSK3BCA2CA1
SCHEMBL17267372 0.78 MEN1 (0.41) MEN1KMT2AGSK3BCA2CA1
SCHEMBL28362420 0.73 MEN1 (0.38) MEN1KMT2AGSK3BCA2CA1
SCHEMBL235410 0.73 CA2 (0.48) GSK3BCA2CA1ALDH1A1MAPT
SCHEMBL237367 0.71 CES2 (0.36) ALDH1A1
SCHEMBL234054 0.70
SCHEMBL237397 0.69 MEN1 (0.35) MEN1KMT2AGSK3BCA2CA1
SCHEMBL16107022 0.68 CA2 (0.40) GSK3BCA2CA1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9745406-B2 Curable composition CEMEDINE CO., LTD. (JP) 2017-08-29 US disclosed
EP-2412756-B1 CURABLE COMPOSITION CEMEDINE CO LTD (JP) 2016-12-21 EP disclosed
EP-2412756-A1 CURABLE COMPOSITION CEMEDINE CO., LTD. (JP) 2012-02-01 EP disclosed
US-20120004371-A1 CURABLE COMPOSITION CEMEDINE CO., LTD. (JP) 2012-01-05 US disclosed