SCHEMBL27409884

SCHEMBL27409884

CSc1ncc(C#CCCCC(=O)NCc2cn(CCC(C)OCCC(C)C)nn2)cn1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ GLS O94925 2/20 0.33
▸ BCHE P06276 1/20 0.30

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
SCHEMBL27411266 0.93 GLS (0.31) GLSBCHE
SCHEMBL27409833 0.93 CNR2 (0.34) GLSBCHE
SCHEMBL27409581 0.88 GLS (0.33) GLS
SCHEMBL27409985 0.84 GBA1 (0.37) GLS
SCHEMBL25046734 0.83 FNTA (0.35) GLS
SCHEMBL22561401 0.78 GLS (0.30) GLS
SCHEMBL27411159 0.76 GLS (0.32) GLS
SCHEMBL25045551 0.73 ALDH1A1 (0.30) —
SCHEMBL22561332 0.72 — —
SCHEMBL27410347 0.69 FOLH1 (0.32) —

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-2024123914-A1 PROCESS FOR MAKING ANTIBODY-DRUG CONJUGATES MERCK SHARP & DOHME LLC (US) 2024-06-13 — — WO disclosed
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