SCHEMBL14775940

SCHEMBL14775940

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

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 19/20 0.65
HDAC2 Q92769 4/20 0.64
HDAC3 O15379 1/20 0.60
KCNH2 Q12809 1/20 0.59

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
SCHEMBL14775941 1.00 HDAC1 (0.65) HDAC1HDAC2HDAC3KCNH2
SCHEMBL2686028 0.93 HDAC1 (0.68) HDAC1HDAC2HDAC3
SCHEMBL14775832 0.91 HDAC1 (0.65) HDAC1HDAC2HDAC3KCNH2
SCHEMBL2684783 0.91 HDAC1 (0.65) HDAC1HDAC2HDAC3KCNH2
SCHEMBL2686562 0.91 HDAC1 (0.68) HDAC1HDAC2HDAC3
SCHEMBL2688225 0.91 HDAC1 (0.73) HDAC1HDAC2HDAC3
SCHEMBL2684918 0.90 HDAC1 (0.66) HDAC1HDAC2HDAC3KCNH2
SCHEMBL2686054 0.90 HDAC1 (0.62) HDAC1HDAC2HDAC3
SCHEMBL2686529 0.89 HDAC1 (0.61) HDAC1HDAC2HDAC3KCNH2
SCHEMBL2687174 0.89 HDAC1 (0.61) HDAC1HDAC2HDAC3KCNH2

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