SCHEMBL20043060

SCHEMBL20043060

C=CCNCCSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.52
KIF11 P52732 13/20 0.49
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.41
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40

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
SCHEMBL1906153 0.84 SIRT2 (0.63) SIRT2KIF11
SCHEMBL14962372 0.77 SIRT2 (0.52) SIRT2KIF11
SCHEMBL17933728 0.76 SIRT2 (0.63) SIRT2KIF11GAA
SCHEMBL11490946 0.76 KIF11 (0.52) SIRT2KIF11
SCHEMBL2830189 0.74 SMN1; SMN2 (0.45) KIF11ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL5666943 0.73 NPC1 (0.48) SIRT2KIF11ALDH1A1SMN1; SMN2
SCHEMBL7206096 0.73 KIF11 (0.57) SIRT2KIF11
SCHEMBL1648406 0.72 KIF11 (0.50) KIF11ALDH1A1
SCHEMBL17345974 0.71 SIRT2 (0.50) SIRT2KIF11
SCHEMBL19154882 0.71 SIRT2 (0.50) SIRT2KIF11ALDH1A1

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
US-20180100036-A1 CLICK NUCLEIC ACID POLYMERS AND METHODS OF USE UNIV COLORADO REGENTS (US) 2018-04-12 US disclosed