SCHEMBL26051182

SCHEMBL26051182

CNCCCC1=C[C@@H](N2CCc3cc(C(=O)NO)cnc3C2)C1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 16/20 0.35
HDAC8 Q9BY41 4/20 0.32
HDAC3 O15379 3/20 0.32
HDAC1 Q13547 3/20 0.32
HDAC4 P56524 2/20 0.31
HDAC7 Q8WUI4 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC10 Q969S8 2/20 0.31
HDAC11 Q96DB2 2/20 0.31
HDAC9 Q9UKV0 2/20 0.31
HDAC5 Q9UQL6 2/20 0.31
KDM1A O60341 1/20 0.30
HRH3 Q9Y5N1 2/20 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
SCHEMBL26062081 1.00 HDAC6 (0.35) HDAC6HDAC8HDAC3HDAC1HDAC4
SCHEMBL26051181 0.80 HDAC6 (0.39) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL26052166 0.79 HDAC6 (0.38) HDAC6HDAC8HDAC3HDAC1HDAC4
SCHEMBL26052112 0.76 HDAC6 (0.39) HDAC6HDAC8HDAC3HDAC1HDAC4
SCHEMBL26052168 0.75 HDAC6 (0.34) HDAC6HDAC8HDAC3HDAC1HDAC4
SCHEMBL26051040 0.75 HDAC6 (0.54) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL722281 0.74 HDAC6 (0.42) HDAC6HDAC8HDAC3HDAC1KDM1A
SCHEMBL26051086 0.73 HDAC6 (0.50) HDAC6HDAC8HDAC3HDAC1HRH3
SCHEMBL26050587 0.73 HDAC6 (0.44) HDAC6HDAC8HDAC3HDAC1HDAC11
SCHEMBL10224172 0.73 HDAC6 (0.58) HDAC6HDAC3HDAC1HDAC2HRH3

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
WO-2023150203-A1 HDAC6 INHIBITORS AND USES THEREOF EIKONIZO THERAPEUTICS, INC. (US) 2023-08-10 WO disclosed