SCHEMBL27361336

SCHEMBL27361336

Cn1cc(S(=O)(=O)N(Cc2ccc(C(=O)NO)cc2)Cc2cccnc2)cn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 9/20 0.59
HDAC8 Q9BY41 7/20 0.59
HDAC1 Q13547 3/20 0.59
HDAC3 O15379 2/20 0.59
HDAC7 Q8WUI4 1/20 0.59
HDAC2 Q92769 1/20 0.59
HDAC10 Q969S8 1/20 0.59
HDAC9 Q9UKV0 1/20 0.59
HDAC5 Q9UQL6 1/20 0.59
CXCR3 P49682 1/20 0.54
HDAC11 Q96DB2 6/20 0.47
NAMPT P43490 2/20 0.47
KMT2A Q03164 1/20 0.45
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MMP1 P03956 1/20 0.44
MMP9 P14780 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
SCHEMBL30754589 0.85 HDAC6 (0.68) HDAC6HDAC8HDAC1HDAC3HDAC7
SCHEMBL27361612 0.85 HDAC6 (0.68) HDAC6HDAC8HDAC1HDAC3HDAC7
SCHEMBL27361824 0.82 HDAC6 (0.59) HDAC6HDAC8HDAC1HDAC3HDAC7
SCHEMBL27361713 0.82 HDAC6 (0.58) HDAC6HDAC8HDAC1HDAC3HDAC7
SCHEMBL27362098 0.81 HDAC6 (0.64) HDAC6HDAC8HDAC1HDAC3HDAC7
SCHEMBL27361448 0.81 HDAC6 (0.71) HDAC6HDAC8HDAC1HDAC3HDAC7
SCHEMBL27361334 0.80 HDAC6 (0.61) HDAC6HDAC8HDAC1HDAC3HDAC7
SCHEMBL27361611 0.80 HDAC6 (0.63) HDAC6HDAC8HDAC1HDAC3HDAC7
SCHEMBL27361975 0.79 HDAC6 (0.68) HDAC6HDAC8HDAC1HDAC3HDAC7
SCHEMBL27361516 0.79 HDAC6 (0.68) HDAC6HDAC8HDAC1HDAC3HDAC7

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