SCHEMBL31628392

SCHEMBL31628392

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 9/20 0.40
▸ HDAC1 Q13547 8/20 0.40
▸ HDAC8 Q9BY41 7/20 0.40
▸ HDAC4 P56524 2/20 0.38
▸ HDAC5 Q9UQL6 4/20 0.37
▸ GAA P10253 1/20 0.36
▸ BDKRB1 P46663 4/20 0.34
▸ PLAT P00750 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ BTK Q06187 1/20 0.32

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
SCHEMBL31375533 1.00 HDAC6 (0.40) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL26962612 0.91 HDAC6 (0.38) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL29797029 0.91 HDAC6 (0.38) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL30830371 0.91 HDAC6 (0.40) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL31628095 0.91 GAA (0.36) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL26962169 0.90 HDAC6 (0.39) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL31628116 0.86 GAA (0.37) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL31375596 0.86 GAA (0.37) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL31628240 0.85 BDKRB1 (0.35) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL31375592 0.85 BDKRB1 (0.35) HDAC6HDAC1HDAC8HDAC4HDAC5

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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