SCHEMBL4409339

SCHEMBL4409339

CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 15/20 0.40
KMT2A Q03164 1/20 0.39
MDM4 O15151 1/20 0.39
TP53 P04637 1/20 0.39
FABP5 Q01469 2/20 0.38
FABP7 O15540 1/20 0.38
DNMT1 P26358 1/20 0.38

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
SCHEMBL29611191 1.00 KIF11 (0.40) KIF11KMT2AMDM4TP53FABP5
SCHEMBL31714132 1.00 KIF11 (0.40) KIF11KMT2AMDM4TP53FABP5
SCHEMBL29511437 1.00 KIF11 (0.40) KIF11KMT2AMDM4TP53FABP5
SCHEMBL23722969 1.00 KIF11 (0.40) KIF11KMT2AMDM4TP53FABP5
SCHEMBL31370691 0.93 KIF11 (0.52) KIF11MDM4TP53FABP5DNMT1
SCHEMBL30471578 0.93 KIF11 (0.52) KIF11MDM4TP53FABP5DNMT1
SCHEMBL2814403 0.90 FABP5 (0.39) KIF11KMT2AMDM4TP53FABP5
SCHEMBL2814407 0.90 FABP5 (0.39) KIF11KMT2AMDM4TP53FABP5
SCHEMBL4406592 0.88 KIF11 (0.39) KIF11KMT2AMDM4TP53FABP5
SCHEMBL4406195 0.87 MDM4 (0.39) KIF11KMT2AMDM4TP53FABP5

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-2085403-A1 PROCESS FOR PRODUCTION OF PEPTIDE THIOESTER TOKAI UNIVERSITY EDUCATIONAL SYSTEM (JP) 2009-08-05 EP disclosed