SCHEMBL21111328

SCHEMBL21111328

CNC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 18/20 0.48
DNMT1 P26358 1/20 0.46

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
SCHEMBL21084930 1.00 KIF11 (0.48) KIF11DNMT1
SCHEMBL21084927 1.00 KIF11 (0.48) KIF11DNMT1
SCHEMBL28649409 0.97 KIF11 (0.50) KIF11DNMT1
SCHEMBL21084964 0.88 KIF11 (0.46) KIF11DNMT1
SCHEMBL21084956 0.88 KIF11 (0.58) KIF11DNMT1
SCHEMBL21084906 0.88 KIF11 (0.58) KIF11DNMT1
SCHEMBL21084946 0.88 KIF11 (0.58) KIF11DNMT1
SCHEMBL28648933 0.86 KIF11 (0.49) KIF11DNMT1
SCHEMBL28653303 0.86 KIF11 (0.49) KIF11DNMT1
SCHEMBL20202838 0.86 KIF11 (0.50) 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
EP-3508476-A1 AMINO MERCAPTAN COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF IN PROTECTION AGAINST RADIATION Inst Of Radiation Medicine Chinese Acad Of Medical Sciences (CN) 2019-07-10 EP disclosed