SCHEMBL25709382

SCHEMBL25709382

CC(C)[C@H](NC(=O)CCOCCOCCOCCN=[N+]=[N-])C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(CN)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 10/20 0.40
▸ MAP1LC3B Q9GZQ8 2/20 0.36
▸ ROCK2 O75116 1/20 0.36
▸ HTT P42858 1/20 0.35
▸ CTSL P07711 1/20 0.34
▸ NPY1R P25929 1/20 0.34
▸ NPY4R P50391 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ CHRNA1 P02708 1/20 0.34
▸ CHRNG P07510 1/20 0.34
▸ CHRNB1 P11230 1/20 0.34
▸ CHRND Q07001 1/20 0.34

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
SCHEMBL29528370 0.94 FURIN (0.40) FURINMAP1LC3BROCK2HTTCTSL
SCHEMBL28592858 0.94 FURIN (0.41) FURINMAP1LC3BROCK2HTTNPY1R
SCHEMBL29623561 0.94 FURIN (0.40) FURINMAP1LC3BROCK2HTTCTSL
SCHEMBL28592862 0.94 FURIN (0.41) FURINMAP1LC3BROCK2HTTNPY1R
SCHEMBL30483106 0.93 FURIN (0.40) FURINMAP1LC3BROCK2HTTCTSL
SCHEMBL25363108 0.92 FURIN (0.38) FURINMAP1LC3BROCK2HTTNPY1R
SCHEMBL26026790 0.92 FURIN (0.38) FURINMAP1LC3BROCK2HTTNPY1R
SCHEMBL25363100 0.92 FURIN (0.38) FURINMAP1LC3BROCK2HTTNPY1R
SCHEMBL25360798 0.92 FURIN (0.37) FURINMAP1LC3BROCK2HTTCTSL
SCHEMBL25361709 0.92 FURIN (0.37) FURINMAP1LC3BROCK2HTTCTSL

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-2023109942-A1 COMPOUND-LINKER CONSTRUCTS COMPRISING NOVEL COMPOUNDS USEFUL AS STING AGONISTS AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-06-22 — — WO disclosed
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