SCHEMBL25687713

SCHEMBL25687713

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@H](CO)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC1=O

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
NECTIN4 Q96NY8 20/20 0.75

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL25686840 1.00 NECTIN4 (0.75) NECTIN4
SCHEMBL25686998 0.95 NECTIN4 (0.82) NECTIN4
SCHEMBL29326814 0.84 NECTIN4 (0.96) NECTIN4
SCHEMBL10795629 0.68 HDAC3 (0.72)
SCHEMBL11029594 0.68 HDAC3 (0.72)
SCHEMBL23381034 0.66 KLKB1 (0.69)
SCHEMBL23381017 0.66 KLKB1 (0.65)
SCHEMBL23104991 0.66 KLKB1 (0.64)
SCHEMBL23380904 0.66 KLKB1 (0.67)
SCHEMBL23381267 0.65 KLKB1 (0.68)

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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