SCHEMBL31628203

SCHEMBL31628203

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 17/20 0.37
▸ HDAC6 Q9UBN7 17/20 0.37
▸ HDAC8 Q9BY41 15/20 0.37
▸ HDAC5 Q9UQL6 8/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PLAT P00750 1/20 0.33
▸ HRH3 Q9Y5N1 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
SCHEMBL30830331 0.91 HDAC1 (0.36) HDAC1HDAC6HDAC8HDAC5
SCHEMBL31628245 0.83 PLAT (0.32) PLAT
SCHEMBL31628226 0.81 — —
SCHEMBL31628392 0.80 HDAC6 (0.40) HDAC1HDAC6HDAC8HDAC5KDM4E
SCHEMBL31375533 0.80 HDAC6 (0.40) HDAC1HDAC6HDAC8HDAC5KDM4E
SCHEMBL31628087 0.79 F11 (0.31) —
SCHEMBL30830306 0.76 — —
SCHEMBL30830371 0.72 HDAC6 (0.40) HDAC1HDAC6HDAC8HDAC5
SCHEMBL29797029 0.72 HDAC6 (0.38) HDAC1HDAC6HDAC8HDAC5
SCHEMBL26962612 0.72 HDAC6 (0.38) HDAC1HDAC6HDAC8HDAC5

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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