SCHEMBL25686998

CSCCC1NC(=O)C2CSCCC(=O)N3CN(CN(C3)C(=O)CCSCC(NC(=O)CN3CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC3)C(=O)N3CCCC3C(=O)NC(Cc3ccc4ccccc4c3)C(=O)N[C@H](CC(=O)O)C(=O)N2)C(=O)CCSCC(C(=O)O)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C2CC(O)CN2C(=O)C2CCCN2C(=O)C(C(C)O)NC(=O)C(CO)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CC(=O)O)NC(=O)C(CCCNC(=N)N)NC1=O

nearest known ligand 0.82

Predicted protein targets (top 2)

	gene	UniProt	supporting neighbours	confidence
▸	NECTIN4	Q96NY8	18/20	0.82

▸	TNFRSF9	Q07011	2/20	0.62

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
SCHEMBL25686840	0.95	NECTIN4 (0.75)	NECTIN4
SCHEMBL25687713	0.95	NECTIN4 (0.75)	NECTIN4
SCHEMBL29326814	0.88	NECTIN4 (0.96)	NECTIN4TNFRSF9
SCHEMBL23824134	0.67	CHRNA7 (0.61)	NECTIN4
SCHEMBL26935089	0.67	HDAC8 (0.57)	—
SCHEMBL31046792	0.67	HDAC3 (0.59)	NECTIN4
SCHEMBL22195305	0.66	KLK5 (0.67)	—
SCHEMBL23381034	0.66	KLKB1 (0.69)	—
SCHEMBL23381017	0.65	KLKB1 (0.65)	—
SCHEMBL23380904	0.65	KLKB1 (0.67)	—

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-2023098072-A1	NECTIN-4-TARGETED BICYCLIC PEPTIDE NUCLIDE LIGAND AND PROBE	北京大学第一医院	2023-06-08	—	—	WO	disclosed