SCHEMBL27361611

SCHEMBL27361611

CCS(=O)(=O)N(Cc1ccc(C(=O)NO)cc1)Cc1cccnc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.63
HDAC1 Q13547 5/20 0.63
HDAC8 Q9BY41 4/20 0.63
HDAC3 O15379 2/20 0.63
HDAC2 Q92769 2/20 0.63
HDAC7 Q8WUI4 1/20 0.63
HDAC10 Q969S8 1/20 0.63
HDAC9 Q9UKV0 1/20 0.63
HDAC5 Q9UQL6 1/20 0.63
GRM2 Q14416 4/20 0.53
CXCR3 P49682 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GAA P10253 1/20 0.49
TRPV1 Q8NER1 2/20 0.49
HIF1A Q16665 1/20 0.47
EPAS1 Q99814 1/20 0.47

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
SCHEMBL27362098 0.89 HDAC6 (0.64) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL27361823 0.86 HDAC6 (0.61) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL27361612 0.85 HDAC6 (0.68) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL30754589 0.85 HDAC6 (0.68) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL27361820 0.84 HDAC6 (0.64) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL27360989 0.83 HDAC6 (0.57) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL27361609 0.83 HDAC6 (0.60) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL27361516 0.82 HDAC6 (0.68) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL22483025 0.82 HDAC6 (0.78) HDAC6HDAC1HDAC8HDAC3HDAC2
SCHEMBL27361903 0.81 HDAC6 (0.69) HDAC6HDAC1HDAC8HDAC3HDAC2

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