SCHEMBL237397

SCHEMBL237397

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
EPHX2 P34913 1/20 0.34
TRPA1 O75762 1/20 0.34
GSK3B P49841 2/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
KIF11 P52732 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
AR P10275 1/20 0.32
CYP2A6 P11509 1/20 0.31
SLC6A3 Q01959 1/20 0.31
ABCC9 O60706 1/20 0.31
KCNJ11 Q14654 1/20 0.31

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
SCHEMBL237620 0.86 CTSS (0.32) SMN1; SMN2AR
SCHEMBL16107022 0.79 CA2 (0.40) EPHX2GSK3BALDH1A1MAPTCA1
SCHEMBL235262 0.76 CES2 (0.33) AR
SCHEMBL23600062 0.72 GSK3B (0.43) MEN1KMT2AGSK3BADRB2ADRB1
SCHEMBL238446 0.69 MEN1 (0.39) MEN1KMT2AGSK3BADRB2ADRB1
SCHEMBL28362420 0.68 MEN1 (0.38) MEN1KMT2AGSK3BADRB2ADRB1
SCHEMBL235410 0.68 CA2 (0.48) GSK3BALDH1A1MAPTCA1CA2
SCHEMBL21482392 0.67 LMNA (0.33) ALDH1A1MAPTSMN1; SMN2SLC6A3
SCHEMBL30509597 0.65 KIF11 (0.50) MEN1KMT2AEPHX2ALDH1A1CA2
SCHEMBL15042770 0.65 KMT2A (0.42) MEN1KMT2AALDH1A1MAPTSMN1; SMN2

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