SCHEMBL14775767

SCHEMBL14775767

CN(C)CCNC(=O)[C@H](Cc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1)N(Cc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 20/20 0.58
HDAC2 Q92769 3/20 0.55
HDAC3 O15379 1/20 0.55

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
SCHEMBL14775799 0.93 HDAC1 (0.56) HDAC1HDAC2HDAC3
SCHEMBL14775595 0.91 HDAC1 (0.59) HDAC1HDAC2HDAC3
SCHEMBL14775970 0.91 HDAC1 (0.62) HDAC1HDAC2HDAC3
SCHEMBL14775896 0.90 HDAC1 (0.70) HDAC1HDAC2
SCHEMBL14775804 0.89 HDAC1 (0.58) HDAC1HDAC2HDAC3
SCHEMBL14775765 0.89 KCNH2 (0.64) HDAC1HDAC2HDAC3
SCHEMBL14775855 0.88 HDAC1 (0.61) HDAC1HDAC2HDAC3
SCHEMBL14775987 0.87 HDAC1 (0.63) HDAC1HDAC2HDAC3
SCHEMBL5544272 0.86 HDAC1 (0.65) HDAC1HDAC2HDAC3
SCHEMBL2687174 0.85 HDAC1 (0.61) HDAC1HDAC2HDAC3

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-1991226-B1 INHIBITORS OF HISTONE DEACETYLASE MERCK SHARP & DOHME (US) 2013-03-20 EP claimed