SCHEMBL9546685

CNC1CCN(C(=O)[C@@H](NC(=O)C(Cc2ccc(-c3ccncc3)cc2)CC(O[Si](C)(C)C(C)(C)C)C(Cc2ccccc2)NC(=O)OC(C)(C)C)C(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

	gene	UniProt	supporting neighbours	confidence
▸	KMT2A	Q03164	3/20	0.43

▸	BACE1	P56817	14/20	0.40

▸	MAPK1	P28482	1/20	0.40

▸	MEN1	O00255	1/20	0.39

▸	APP	P05067	1/20	0.37

▸	PSEN1	P49768	1/20	0.37

▸	PSEN2	P49810	1/20	0.37

▸	APH1B	Q8WW43	1/20	0.37

▸	NCSTN	Q92542	1/20	0.37

▸	APH1A	Q96BI3	1/20	0.37

▸	PSENEN	Q9NZ42	1/20	0.37

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
SCHEMBL9546677	1.00	KMT2A (0.43)	KMT2ABACE1MAPK1MEN1APP
SCHEMBL9546694	1.00	KMT2A (0.43)	KMT2ABACE1MAPK1MEN1APP
SCHEMBL9546754	0.90	BACE1 (0.41)	KMT2ABACE1APPPSEN1PSEN2
SCHEMBL9546744	0.90	BACE1 (0.41)	KMT2ABACE1APPPSEN1PSEN2
SCHEMBL9546732	0.90	BACE1 (0.41)	KMT2ABACE1APPPSEN1PSEN2
SCHEMBL9546731	0.90	BACE1 (0.49)	KMT2ABACE1APPPSEN1PSEN2
SCHEMBL9546724	0.90	BACE1 (0.49)	KMT2ABACE1APPPSEN1PSEN2
SCHEMBL9546742	0.90	BACE1 (0.49)	KMT2ABACE1APPPSEN1PSEN2
SCHEMBL9546808	0.88	KMT2A (0.42)	KMT2AMAPK1MEN1APPPSEN1
SCHEMBL9546813	0.88	KMT2A (0.42)	KMT2AMAPK1MEN1APPPSEN1

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-1993023373-A1	N-[N'-(5-AMINO-4-HYDROXY-ACYLOYL)-α-AMINOACYLOYL] SUBSTITUTED HETEROCYCLES AND THEIR USE AS ANTIVIRAL AGENTS	PFIZER LIMITED (GB)	1993-11-25	—	—	WO	disclosed