SCHEMBL14775972

CC(=O)Nc1ccc(-c2cccs2)cc1NC(=O)c1ccc(C(NC(C)=O)C(N)=O)cc1.NC(=O)C(N)c1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1

nearest known ligand 0.63

Predicted protein targets (top 12)

	gene	UniProt	supporting neighbours	confidence
▸	KCNH2	Q12809	2/20	0.63

▸	HDAC1	Q13547	18/20	0.61

▸	HDAC2	Q92769	8/20	0.61

▸	HDAC3	O15379	4/20	0.61

▸	HDAC4	P56524	2/20	0.61

▸	HDAC7	Q8WUI4	2/20	0.61

▸	HDAC10	Q969S8	2/20	0.61

▸	HDAC11	Q96DB2	2/20	0.61

▸	HDAC8	Q9BY41	2/20	0.61

▸	HDAC6	Q9UBN7	2/20	0.61

▸	HDAC9	Q9UKV0	2/20	0.61

▸	HDAC5	Q9UQL6	2/20	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.

Compound	similarity	top predicted	shared targets
SCHEMBL2684341	0.91	HDAC1 (0.70)	KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL2685581	0.91	HDAC1 (0.58)	KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL1931809	0.87	KCNH2 (0.78)	KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL2685292	0.84	HDAC1 (0.70)	KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL2684689	0.83	HDAC1 (0.69)	KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL2686463	0.83	HDAC1 (0.70)	KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL2684544	0.82	KCNH2 (0.76)	KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL2686607	0.82	HDAC1 (0.66)	KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL2684972	0.80	HDAC1 (0.65)	KCNH2HDAC1HDAC2HDAC3HDAC4
SCHEMBL14781030	0.80	HDAC1 (0.65)	KCNH2HDAC1HDAC2HDAC3HDAC4

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.

Patent	Title	Assignee	Published	Priority	Filing	Country	Status
EP-1991226-B1	INHIBITORS OF HISTONE DEACETYLASE	MERCK SHARP & DOHME (US)	2013-03-20	—	—	EP	disclosed