SCHEMBL31375586

SCHEMBL31375586

CC(C)(C)OC(=O)N[C@H]1CSc2ccc(-c3nnc(C(C)(C)C#N)o3)cc2NC1=O

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.33
▸ PSMB8 P28062 1/20 0.32
▸ LIPG Q9Y5X9 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ BRD4 O60885 2/20 0.30
▸ CREBBP Q92793 1/20 0.30
▸ TBK1 Q9UHD2 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
SCHEMBL29797169 0.93 GAA (0.37) GAAHDAC6PSMB8LIPGEPHX2
SCHEMBL26962347 0.93 GAA (0.37) GAAHDAC6PSMB8LIPGEPHX2
SCHEMBL31628179 0.89 HDAC6 (0.37) GAAHDAC6PSMB8LIPGEPHX2
SCHEMBL30830302 0.88 GAA (0.34) GAAHDAC6PSMB8LIPGEPHX2
SCHEMBL31375540 0.86 GAA (0.37) GAAHDAC6PSMB8LIPGEPHX2
SCHEMBL31375549 0.86 GAA (0.37) GAAPSMB8LIPGEPHX2BRD4
SCHEMBL31628209 0.86 GAA (0.37) GAAPSMB8LIPGEPHX2BRD4
SCHEMBL31628170 0.86 GAA (0.37) GAAHDAC6PSMB8LIPGEPHX2
SCHEMBL31628366 0.86 HDAC6 (0.35) GAAHDAC6PSMB8
SCHEMBL31628233 0.86 HDAC6 (0.35) GAAHDAC6PSMB8LIPG

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
CN-119677733-A Bicyclic tetrahydrothiazepine derivatives 豪夫迈·罗氏有限公司 2025-03-21 — — CN disclosed
Send feedback