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Sugi Predict / Compounds / SCHEMBL31628116

SCHEMBL31628116

SCHEMBL31628116

CC(C)(C)OC(=O)N[C@H]1CSc2cc(F)c(-c3noc(C4(NC(=O)OC(C)(C)C)COC4)n3)cc2NC1=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.37
▸ BDKRB1 P46663 4/20 0.35
▸ HDAC6 Q9UBN7 5/20 0.33
▸ HDAC1 Q13547 4/20 0.33
▸ HDAC8 Q9BY41 4/20 0.33
▸ KIT P10721 2/20 0.33
▸ HDAC5 Q9UQL6 1/20 0.32
▸ HDAC4 P56524 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
SCHEMBL31375596 1.00 GAA (0.37) GAABDKRB1HDAC6HDAC1HDAC8
SCHEMBL31375615 0.87 KIT (0.40) GAABDKRB1HDAC6HDAC1HDAC8
SCHEMBL31628274 0.87 KIT (0.40) GAABDKRB1HDAC6HDAC1HDAC8
SCHEMBL31628095 0.86 GAA (0.36) GAABDKRB1HDAC6HDAC1HDAC8
SCHEMBL31628392 0.86 HDAC6 (0.40) GAABDKRB1HDAC6HDAC1HDAC8
SCHEMBL31375533 0.86 HDAC6 (0.40) GAABDKRB1HDAC6HDAC1HDAC8
SCHEMBL31628240 0.85 BDKRB1 (0.35) GAABDKRB1HDAC6HDAC1HDAC8
SCHEMBL31375592 0.85 BDKRB1 (0.35) GAABDKRB1HDAC6HDAC1HDAC8
SCHEMBL30830371 0.82 HDAC6 (0.40) GAABDKRB1HDAC6HDAC1HDAC8
SCHEMBL29797029 0.82 HDAC6 (0.38) GAABDKRB1HDAC6HDAC1HDAC8

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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