SCHEMBL31375489

SCHEMBL31375489

CC(C)(C)OC(=O)N[C@H]1CSc2ccc(/C(N)=N/OC(=O)C3(NC(=O)OC(C)(C)C)COC3)cc2NC1=O

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.37
▸ ALOX15 P16050 1/20 0.34
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ LMNA P02545 3/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ POLB P06746 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ RAB9A P51151 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
SCHEMBL31628137 0.83 LMNA (0.38) GAAALOX15HDAC1HDAC8HDAC6
SCHEMBL31375481 0.83 LMNA (0.38) GAAALOX15HDAC1HDAC8HDAC6
SCHEMBL20264133 0.78 SMN1; SMN2 (0.48) GAAALOX15HDAC1HDAC8HDAC6
SCHEMBL26962078 0.78 HPGD (0.41) GAAHDAC1HDAC8HDAC6KMT2A
SCHEMBL29796987 0.78 HPGD (0.41) GAAHDAC1HDAC8HDAC6KMT2A
SCHEMBL31375565 0.78 LMNA (0.54) GAAALOX15HDAC1HDAC8HDAC6
SCHEMBL20279961 0.78 LMNA (0.54) GAAALOX15HDAC1HDAC8HDAC6
SCHEMBL31628071 0.75 KMT2A (0.37) GAAHDAC1HDAC8HDAC6KMT2A
SCHEMBL31375598 0.75 KMT2A (0.37) GAAHDAC1HDAC8HDAC6KMT2A
SCHEMBL29796820 0.74 HDAC1 (0.39) GAAHDAC1HDAC8HDAC6KMT2A

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-4568959-A1 BICYCLIC TETRAHYDROTHIAZEPINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2025-06-18 — — EP disclosed
CN-119677733-A Bicyclic tetrahydrothiazepine derivatives 豪夫迈·罗氏有限公司 2025-03-21 — — CN disclosed
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