SCHEMBL28487648

CC(C)C(=O)SCCNC(=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.CCC(C)C(=O)SCCNC(=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 7)

	gene	UniProt	supporting neighbours	confidence
▸	NAA50	Q9GZZ1	2/20	0.84

▸	CHAT	P28329	2/20	0.80

▸	EP300	Q09472	3/20	0.79

▸	AURKA	O14965	2/20	0.79

▸	KAT5	Q92993	2/20	0.79

▸	KAT2B	Q92831	1/20	0.79

▸	CREBBP	Q92793	1/20	0.69

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
SCHEMBL26135395	0.98	NAA50 (0.86)	NAA50CHATEP300AURKAKAT5
SCHEMBL29699328	0.98	NAA50 (0.86)	NAA50CHATEP300AURKAKAT5
SCHEMBL1533824	0.98	NAA50 (0.86)	NAA50CHATEP300AURKAKAT5
SCHEMBL30411982	0.98	NAA50 (0.86)	NAA50CHATEP300AURKAKAT5
SCHEMBL22609304	0.98	NAA50 (0.86)	NAA50CHATEP300AURKAKAT5
SCHEMBL2935253	0.98	NAA50 (0.86)	NAA50CHATEP300AURKAKAT5
SCHEMBL120171	0.98	NAA50 (0.86)	NAA50CHATEP300AURKAKAT5
SCHEMBL22612561	0.98	NAA50 (0.86)	NAA50CHATEP300AURKAKAT5
SCHEMBL22612510	0.98	NAA50 (0.86)	NAA50CHATEP300AURKAKAT5
SCHEMBL21874989	0.97	NAA50 (0.89)	NAA50CHATEP300AURKAKAT5

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-111770921-A	Quinoxalinone compounds, compositions, methods and kits for improving efficiency of genome editing	沃泰克斯药物股份有限公司	2020-10-13	—	—	CN	disclosed