SCHEMBL25809274

COC(=O)CCNC(=O)CCNC(=O)c1nc(NC(=O)CCNC(=O)c2cc(NC(=O)c3nc(NC(=O)CCNC(=O)c4cc(NC(=O)c5nccn5C)cn4C)cn3C)cn2C)cn1C

nearest known ligand 0.57

Predicted protein targets (top 13)

	gene	UniProt	supporting neighbours	confidence
▸	HDAC1	Q13547	2/20	0.57

▸	HDAC2	Q92769	2/20	0.57

▸	HDAC8	Q9BY41	2/20	0.57

▸	ERBB2	P04626	10/20	0.44

▸	TOP1	P11387	2/20	0.40

▸	HRAS	P01112	1/20	0.39

▸	ESR1	P03372	1/20	0.39

▸	ESR2	Q92731	1/20	0.39

▸	KDM4E	B2RXH2	1/20	0.39

▸	POLB	P06746	1/20	0.39

▸	MAPT	P10636	1/20	0.39

▸	HIF1A	Q16665	1/20	0.39

▸	NR3C1	P04150	5/20	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.

Compound	similarity	top predicted	shared targets
SCHEMBL23728594	0.98	HDAC1 (0.55)	HDAC1HDAC2HDAC8ERBB2TOP1
SCHEMBL23728639	0.97	HDAC1 (0.55)	HDAC1HDAC2HDAC8ERBB2TOP1
SCHEMBL30125670	0.94	HDAC1 (0.60)	HDAC1HDAC2HDAC8ERBB2TOP1
SCHEMBL30125626	0.93	HDAC1 (0.59)	HDAC1HDAC2HDAC8ERBB2TOP1
SCHEMBL30125651	0.93	HDAC1 (0.59)	HDAC1HDAC2HDAC8ERBB2TOP1
SCHEMBL30125594	0.91	HDAC1 (0.59)	HDAC1HDAC2HDAC8ERBB2TOP1
SCHEMBL25248804	0.91	HDAC1 (0.59)	HDAC1HDAC2HDAC8ERBB2TOP1
SCHEMBL25704113	0.91	HDAC1 (0.49)	HDAC1HDAC2HDAC8ERBB2TOP1
SCHEMBL23728852	0.91	HDAC1 (0.58)	HDAC1HDAC2HDAC8ERBB2TOP1
SCHEMBL23745008	0.91	HDAC1 (0.55)	HDAC1HDAC2HDAC8ERBB2TOP1

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
WO-2023133284-A2	COMPOUNDS AND METHODS FOR TREATING FRIEDREICH'S ATAXIA	Design Therapeutics, Inc. (US)	2023-07-13	—	—	WO	disclosed