SCHEMBL24522549

SCHEMBL24522549

CNC(=O)/C=C/c1ccc(CNc2cccc3ncccc23)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.84
HDAC1 Q13547 9/20 0.62
HDAC3 O15379 4/20 0.62
HDAC2 Q92769 4/20 0.62
HDAC4 P56524 3/20 0.62
HDAC7 Q8WUI4 3/20 0.62
HDAC10 Q969S8 3/20 0.62
HDAC11 Q96DB2 3/20 0.62
HDAC8 Q9BY41 3/20 0.62
HDAC9 Q9UKV0 3/20 0.62
HDAC5 Q9UQL6 3/20 0.62
NCOR2 Q9Y618 1/20 0.62
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 1/20 0.47
KDM4E B2RXH2 1/20 0.44
CLK1 P49759 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL19631403 0.91 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL19631345 0.87 HDAC6 (0.77) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL19617676 0.77 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL19616918 0.76 HDAC6 (0.72) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL19631312 0.74 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL29761213 0.74 HDAC6 (1.00) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL21369247 0.74 HDAC6 (0.63) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL13675666 0.73 MEN1 (0.67) HDAC6HDAC1ALDH1A1MEN1KMT2A
SCHEMBL21356300 0.72 HDAC6 (0.73) HDAC6HDAC1HDAC3HDAC2HDAC4
SCHEMBL19631333 0.72 HDAC6 (0.73) HDAC6HDAC1HDAC3HDAC2HDAC4

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
EP-3458444-B1 HISTONE DEACETYLASE 6 INHIBITORS AND USE THEREOF UNIV TAIPEI MEDICAL (TW) 2022-06-22 EP disclosed