SCHEMBL14920950

SCHEMBL14920950

N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)Nc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 19/20 0.61
DNMT1 P26358 1/20 0.61

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
SCHEMBL21084947 0.86 KIF11 (0.65) KIF11DNMT1
SCHEMBL21084921 0.86 KIF11 (0.65) KIF11DNMT1
SCHEMBL21084920 0.86 KIF11 (0.65) KIF11DNMT1
SCHEMBL12933694 0.83 KIF11 (0.47) KIF11
SCHEMBL19542308 0.83 KIF11 (0.65) KIF11DNMT1
S-Trityl-L-Cysteine SCHEMBL768203 0.82 KIF11 (0.85) KIF11DNMT1
S-Trityl-L-Cysteine SCHEMBL768202 0.82 KIF11 (0.85) KIF11DNMT1
S-Trityl-L-Cysteine SCHEMBL6891349 0.82 KIF11 (0.85) KIF11DNMT1
Hydrochloric Acid SCHEMBL2790011 0.82 KIF11 (0.46) KIF11
Hydrochloric Acid SCHEMBL2790014 0.82 KIF11 (0.46) KIF11

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2773375-B1 TYROSINE BASED LINKERS FOR THE RELEASABLE CONNECTION OF PEPTIDES BAYER IP GMBH (DE) 2017-02-08 EP disclosed
US-9315543-B2 Tyrosine based linkers for the releasable connection of peptides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-04-19 US disclosed
CN-104144705-A TYROSINE BASED LINKERS FOR THE RELEASABLE CONNECTION OF PEPTIDES BAYER IP GMBH 2014-11-12 CN disclosed
EP-2773375-A1 TYROSINE BASED LINKERS FOR THE RELEASABLE CONNECTION OF PEPTIDES Bayer Intellectual Property GmbH (DE) 2014-09-10 EP disclosed
WO-2013064455-A1 TYROSINE BASED LINKERS FOR THE RELEASABLE CONNECTION OF PEPTIDES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-05-10 WO disclosed