SCHEMBL31375540

SCHEMBL31375540

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

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.37
▸ PSMB8 P28062 1/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ LIPG Q9Y5X9 1/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ BRD4 O60885 3/20 0.31
▸ CREBBP Q92793 2/20 0.31
▸ TLR8 Q9NR97 1/20 0.30
▸ TLR7 Q9NYK1 1/20 0.30
▸ CTSS P25774 1/20 0.30
▸ CTSK P43235 1/20 0.30
▸ KDM1A O60341 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
SCHEMBL31628170 1.00 GAA (0.37) GAAPSMB8EPHX2LIPGHDAC6
SCHEMBL29797169 0.90 GAA (0.37) GAAPSMB8EPHX2LIPGHDAC6
SCHEMBL31375549 0.90 GAA (0.37) GAAPSMB8EPHX2LIPGBRD4
SCHEMBL26962347 0.90 GAA (0.37) GAAPSMB8EPHX2LIPGHDAC6
SCHEMBL31628209 0.90 GAA (0.37) GAAPSMB8EPHX2LIPGBRD4
SCHEMBL31628179 0.86 HDAC6 (0.37) GAAPSMB8EPHX2LIPGHDAC6
SCHEMBL31375586 0.86 GAA (0.35) GAAPSMB8EPHX2LIPGHDAC6
SCHEMBL30830302 0.86 GAA (0.34) GAAPSMB8EPHX2LIPGHDAC6
SCHEMBL31628193 0.85 GAA (0.34) GAAPSMB8LIPGBRD4
SCHEMBL31375572 0.85 GAA (0.34) GAAPSMB8LIPGBRD4

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
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