SCHEMBL31470191

SCHEMBL31470191

[C-]#[N+]c1ccc(C(=O)N(CC(=O)NC(C)(C)C)Cc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.59
CTSK P43235 1/20 0.59
HDAC6 Q9UBN7 15/20 0.58
HDAC1 Q13547 14/20 0.58
HDAC3 O15379 2/20 0.53
HDAC2 Q92769 1/20 0.53
CTSL P07711 2/20 0.50
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL95721 0.72 CTSS (0.60) CTSSCTSKHDAC6HDAC1HDAC3
SCHEMBL1526960 0.70 HDAC1 (0.48) CTSSCTSKHDAC6HDAC1HDAC3
SCHEMBL12561256 0.69 HDAC1 (0.55) CTSSCTSKHDAC6HDAC1HDAC3
SCHEMBL8359492 0.69 KMT2A (0.76) HDAC6HDAC1HDAC3HDAC7HDAC10
SCHEMBL31470166 0.68 TSHR (0.69)
SCHEMBL13137406 0.68 CTSS (0.54) CTSSCTSKHDAC6HDAC1CTSL
SCHEMBL12376711 0.68 GAA (0.61)
SCHEMBL8012604 0.68 ALDH1A1 (0.59) CTSSCTSKHDAC6HDAC1HDAC3
SCHEMBL25138742 0.67 HDAC1 (0.71) HDAC6HDAC1HDAC3HDAC7HDAC10
SCHEMBL5190596 0.67 CTSS (0.59) CTSSCTSKHDAC6HDAC1HDAC3

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
WO-2025027448-A1 ANTIBACTERIAL AGENTS, COMPOSITIONS AND USES THEREOF Università Degli Studi del Piemonte Orientale “Amedeo Avogadro” (IT) 2025-02-06 WO claimed
WO-2025027448-A1 ANTIBACTERIAL AGENTS, COMPOSITIONS AND USES THEREOF Università Degli Studi del Piemonte Orientale “Amedeo Avogadro” (IT) 2025-02-06 WO disclosed