SCHEMBL15083455

CSS[C@@H](CC[C@H](NC(=O)OC(C)(C)C)C(=O)O[C@@H]1[C@@H](COP(=O)(O)O[C@H]2C[C@H](n3ccc(N)nc3=O)O[C@@H]2COP(=O)(O)O)OC(n2cnc3c(N)ncnc32)[C@@H]1O)CNC(=O)OCc1ccc(N=[N+]=[N-])cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

	gene	UniProt	supporting neighbours	confidence
▸	CHAT	P28329	2/20	0.40

▸	EP300	Q09472	3/20	0.39

▸	NAA50	Q9GZZ1	2/20	0.38

▸	RNASEL	Q05823	7/20	0.38

▸	KAT5	Q92993	2/20	0.38

▸	AURKA	O14965	1/20	0.38

▸	KAT2B	Q92831	1/20	0.38

▸	CREBBP	Q92793	1/20	0.37

▸	ENPP1	P22413	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
SCHEMBL17991816	1.00	CHAT (0.40)	CHATEP300NAA50RNASELKAT5
SCHEMBL27221995	1.00	CHAT (0.40)	CHATEP300NAA50RNASELKAT5
SCHEMBL27222004	1.00	CHAT (0.40)	CHATEP300NAA50RNASELKAT5
SCHEMBL16289101	1.00	CHAT (0.40)	CHATEP300NAA50RNASELKAT5
SCHEMBL16289113	1.00	CHAT (0.40)	CHATEP300NAA50RNASELKAT5
SCHEMBL16289137	1.00	CHAT (0.40)	CHATEP300NAA50RNASELKAT5
SCHEMBL16289126	1.00	CHAT (0.40)	CHATEP300NAA50RNASELKAT5
SCHEMBL16574713	0.94	CHAT (0.36)	CHATEP300NAA50RNASELKAT5
SCHEMBL16287982	0.93	CHAT (0.40)	CHATEP300NAA50RNASELKAT5
SCHEMBL16288001	0.93	CHAT (0.40)	CHATEP300NAA50RNASELKAT5

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-2013100132-A1	PEPTIDE-COMPOUND CYCLIZATION METHOD	中外製薬株式会社 (JP)	2013-07-04	—	—	WO	disclosed