SCHEMBL4460000

SCHEMBL4460000

O=C(O)[C@H](CCSC(c1ccccc1)(c1ccccc1)c1ccccc1)Nc1ncccn1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 16/20 0.44
SIRT2 Q8IXJ6 1/20 0.44
DNMT1 P26358 1/20 0.42
KDM4E B2RXH2 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
SCHEMBL4460006 1.00 KIF11 (0.44) KIF11SIRT2DNMT1KDM4E
SCHEMBL4456589 0.82 MEN1 (0.43) KIF11KDM4E
SCHEMBL4456592 0.82 MEN1 (0.43) KIF11KDM4E
SCHEMBL2816101 0.79 KIF11 (0.51) KIF11DNMT1
SCHEMBL27558321 0.79 KIF11 (0.51) KIF11DNMT1
SCHEMBL2816104 0.79 KIF11 (0.51) KIF11DNMT1
SCHEMBL4451777 0.75 ALDH1A1 (0.34)
SCHEMBL4457435 0.75 CSNK1D (0.46)
SCHEMBL4457438 0.75 CSNK1D (0.46)
SCHEMBL4458423 0.75 ELOVL1 (0.46) KDM4E

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
WO-2009151744-A1 S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed