SCHEMBL31628145

SCHEMBL31628145

COC(F)(c1nnc(-c2ccc3c(c2)NC(=O)[C@@H](OC(N)=O)CS3)o1)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 3/20 0.31

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
SCHEMBL30830334 0.84 BACE1 (0.32) —
SCHEMBL31628288 0.82 KDM4E (0.33) —
SCHEMBL31628007 0.81 — —
SCHEMBL31628233 0.81 HDAC6 (0.35) HDAC6
SCHEMBL31628017 0.76 — —
SCHEMBL30830349 0.76 HDAC1 (0.30) —
SCHEMBL31628245 0.75 PLAT (0.32) —
SCHEMBL30830306 0.72 — —
SCHEMBL31628179 0.71 HDAC6 (0.37) HDAC6
SCHEMBL31628366 0.69 HDAC6 (0.35) HDAC6

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
EP-4568959-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-06-18 — — EP disclosed
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