SCHEMBL24522582

SCHEMBL24522582

C/C(=C/c1ccc(C(=O)Nc2cccc3cccnc23)cc1)C(=O)NO

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.68
TDP1 Q9NUW8 1/20 0.67
KDR P35968 5/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 4/20 0.60
TP53 P04637 2/20 0.60
KMT2A Q03164 2/20 0.57
POLB P06746 1/20 0.57
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
CASP3 P42574 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
KDM4E B2RXH2 1/20 0.56
HTT P42858 1/20 0.54
LMNA P02545 1/20 0.54
MEN1 O00255 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL19631401 0.82 HDAC6 (0.72) HDAC6TDP1KDRL3MBTL1GAA
SCHEMBL29647754 0.82 HDAC6 (1.00) HDAC6TDP1KDRL3MBTL1GAA
SCHEMBL19631488 0.82 HDAC6 (1.00) HDAC6TDP1KDRL3MBTL1GAA
SCHEMBL15328429 0.81 TDP1 (1.00) HDAC6TDP1KDRL3MBTL1GAA
SCHEMBL30061443 0.81 TDP1 (1.00) HDAC6TDP1KDRL3MBTL1GAA
SCHEMBL19631338 0.81 HDAC6 (0.73) HDAC6TDP1KDRL3MBTL1GAA
SCHEMBL21356262 0.81 HDAC6 (0.73) HDAC6TDP1KDRL3MBTL1GAA
SCHEMBL19631371 0.79 HDAC6 (0.66) HDAC6TDP1KDRL3MBTL1GAA
SCHEMBL16456332 0.78 HDAC6 (0.77) HDAC6TDP1KDRL3MBTL1GAA
SCHEMBL29655132 0.78 HDAC6 (0.77) HDAC6TDP1KDRL3MBTL1GAA

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