SCHEMBL28670397

C=C(O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O

nearest known ligand 0.84

Predicted protein targets (top 8)

	gene	UniProt	supporting neighbours	confidence
▸	CHAT	P28329	2/20	0.83

▸	NAA50	Q9GZZ1	2/20	0.83

▸	EP300	Q09472	4/20	0.82

▸	KAT5	Q92993	2/20	0.82

▸	AURKA	O14965	1/20	0.82

▸	KAT2B	Q92831	1/20	0.82

▸	CREBBP	Q92793	1/20	0.78

▸	NAA40	Q86UY6	1/20	0.76

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
SCHEMBL30361785	0.95	CHAT (0.85)	CHATNAA50EP300KAT5AURKA
SCHEMBL20815907	0.95	CHAT (0.85)	CHATNAA50EP300KAT5AURKA
SCHEMBL30991360	0.95	CHAT (0.85)	CHATNAA50EP300KAT5AURKA
SCHEMBL1370748	0.95	CHAT (0.85)	CHATNAA50EP300KAT5AURKA
SCHEMBL26700227	0.94	EP300 (0.83)	CHATNAA50EP300KAT5AURKA
SCHEMBL28803301	0.94	EP300 (0.83)	CHATNAA50EP300KAT5AURKA
SCHEMBL28954818	0.94	NAA50 (0.86)	CHATNAA50EP300KAT5AURKA
SCHEMBL28017929	0.93	EP300 (0.84)	CHATNAA50EP300KAT5AURKA
SCHEMBL2112268	0.93	CHAT (0.83)	CHATNAA50EP300KAT5AURKA
SCHEMBL29359401	0.93	CHAT (0.87)	CHATNAA50EP300KAT5AURKA

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
CN-113793646-A	Spectral image unmixing method based on weighted nonnegative matrix decomposition and application thereof	上海交通大学	2021-12-14	—	—	CN	disclosed