SCHEMBL30830331

SCHEMBL30830331

CC(C)(c1nc(-c2cc3c(cc2F)SC[C@H](OC(N)=O)C(=O)N3)no1)S(C)(=O)=O

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 11/20 0.36
▸ HDAC8 Q9BY41 11/20 0.36
▸ HDAC6 Q9UBN7 11/20 0.36
▸ HDAC5 Q9UQL6 5/20 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
SCHEMBL31628203 0.91 HDAC1 (0.37) HDAC1HDAC8HDAC6HDAC5
SCHEMBL30830306 0.84 — —
SCHEMBL30830371 0.82 HDAC6 (0.40) HDAC1HDAC8HDAC6HDAC5
SCHEMBL31628226 0.79 — —
SCHEMBL31628087 0.76 F11 (0.31) —
SCHEMBL31628245 0.76 PLAT (0.32) —
SCHEMBL30830334 0.73 BACE1 (0.32) HDAC1
SCHEMBL31375533 0.72 HDAC6 (0.40) HDAC1HDAC8HDAC6HDAC5
SCHEMBL31628392 0.72 HDAC6 (0.40) HDAC1HDAC8HDAC6HDAC5
SCHEMBL29797029 0.69 HDAC6 (0.38) HDAC1HDAC8HDAC6HDAC5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4568958-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-06-18 — — EP disclosed
WO-2024033388-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2024-02-15 — — WO disclosed
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