SCHEMBL27360993

SCHEMBL27360993

CC(C)CN(CCc1cccnc1)Cc1ccc(C(=O)NO)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.48
HDAC1 Q13547 10/20 0.48
HDAC8 Q9BY41 5/20 0.48
HDAC2 Q92769 5/20 0.47
HDAC3 O15379 3/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC9 Q9UKV0 2/20 0.47
HDAC5 Q9UQL6 2/20 0.47
NAMPT P43490 2/20 0.46
CHRNA7 P36544 1/20 0.45
HIF1A Q16665 1/20 0.45
EPAS1 Q99814 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
TRPV1 Q8NER1 1/20 0.43
POLB P06746 1/20 0.43
HPGD P15428 1/20 0.43
OPRK1 P41145 1/20 0.43

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
SCHEMBL27360907 0.91 HDAC6 (0.53) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL27360915 0.85 HDAC6 (0.47) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL27360994 0.84 HDAC6 (0.52) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL27360989 0.79 HDAC6 (0.57) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL30754581 0.77 HDAC6 (0.51) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL27360909 0.77 HDAC6 (0.51) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL27362146 0.76 HDAC6 (0.48) HDAC6HDAC1HDAC8HDAC2HDAC3
SCHEMBL14703172 0.76 CHRNA7 (0.59) CHRNA7OPRK1
SCHEMBL30754583 0.76 MKNK1 (0.45) CHRNA7
SCHEMBL27361823 0.76 HDAC6 (0.61) HDAC6HDAC1HDAC8HDAC2HDAC3

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-2024028654-A2 HISTONE DEACETYLASE INHIBITORS AND USE OF THE SAME THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2024-02-08 WO disclosed