SCHEMBL4557799

SCHEMBL4557799

CC(C)(C)OC(=O)[C@@H]([AsH2])CSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 19/20 0.50
DNMT1 P26358 1/20 0.45

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
Hydrochloric Acid SCHEMBL4557797 0.99 KIF11 (0.49) KIF11DNMT1
Hydrochloric Acid SCHEMBL4557800 0.99 KIF11 (0.49) KIF11DNMT1
SCHEMBL29971781 0.84 KIF11 (0.55) KIF11DNMT1
SCHEMBL25901573 0.84 KIF11 (0.51) KIF11DNMT1
SCHEMBL4459711 0.83 KIF11 (0.65) KIF11DNMT1
SCHEMBL29635035 0.83 KIF11 (0.65) KIF11DNMT1
SCHEMBL5996941 0.83 KIF11 (0.65) KIF11DNMT1
Hydrochloric Acid SCHEMBL25242234 0.82 KIF11 (0.64) KIF11DNMT1
Hydrochloric Acid SCHEMBL4459708 0.82 KIF11 (0.64) KIF11DNMT1
Hydrochloric Acid SCHEMBL4459715 0.82 KIF11 (0.64) KIF11DNMT1

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