SCHEMBL233980

SCHEMBL233980

N#Cc1cc(C#N)cc(C(=S)SSC(=S)c2cc(C#N)cc(C#N)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.37
ALB P02768 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GSK3B P49841 2/20 0.32
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA3 P07451 1/20 0.31
CA6 P23280 1/20 0.31
CA9 Q16790 1/20 0.31
CA14 Q9ULX7 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
GPR35 Q9HC97 1/20 0.31
VCAM1 P19320 1/20 0.30
CA1 P00915 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL235410 0.77 CA2 (0.48) GSK3BCA2CA12CA3CA6
SCHEMBL236793 0.73 TTR (0.32) TTRALB
SCHEMBL60145 0.71 TTR (0.50) TTRALBMEN1KMT2ACA2
SCHEMBL23621097 0.69 TTR (0.41) TTRALBMEN1KMT2AGSK3B
SCHEMBL1542635 0.69 PTGS1 (0.46) TTRALBMEN1KMT2AGSK3B
SCHEMBL16951028 0.69 TTR (0.46) TTRALBMEN1KMT2AGSK3B
SCHEMBL2170685 0.67 MRGPRX4 (0.49) GSK3BCA2CA12CA3CA6
SCHEMBL2170682 0.67 CA1 (0.41) TTRALBMEN1KMT2AGSK3B
SCHEMBL3194338 0.66 TTR (0.42) TTRALBMEN1KMT2ACA2
SCHEMBL5222486 0.65 GSK3B (0.40) TTRALBMEN1KMT2AGSK3B

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