SCHEMBL27361902

SCHEMBL27361902

O=C(NO)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2ccc3nccnc3c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.65
HDAC8 Q9BY41 9/20 0.65
HDAC3 O15379 3/20 0.65
HDAC1 Q13547 1/20 0.65
HDAC7 Q8WUI4 1/20 0.65
HDAC2 Q92769 1/20 0.65
HDAC10 Q969S8 1/20 0.65
HDAC9 Q9UKV0 1/20 0.65
HDAC5 Q9UQL6 1/20 0.65
CXCR3 P49682 1/20 0.52
HDAC11 Q96DB2 7/20 0.50
PDE4A P27815 1/20 0.49
PDE4B Q07343 1/20 0.49
PDE4C Q08493 1/20 0.49
PDE4D Q08499 1/20 0.49
NAMPT P43490 1/20 0.47
PTGER2 P43116 1/20 0.47
MMP1 P03956 1/20 0.46
MMP9 P14780 1/20 0.46
MMP13 P45452 1/20 0.46

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
SCHEMBL30754578 1.00 HDAC6 (0.65) HDAC6HDAC8HDAC3HDAC1HDAC7
SCHEMBL27361716 0.90 HDAC6 (0.60) HDAC6HDAC8HDAC3HDAC1HDAC7
SCHEMBL30754579 0.90 HDAC6 (0.60) HDAC6HDAC8HDAC3HDAC1HDAC7
SCHEMBL27361612 0.85 HDAC6 (0.68) HDAC6HDAC8HDAC3HDAC1HDAC7
SCHEMBL30754589 0.85 HDAC6 (0.68) HDAC6HDAC8HDAC3HDAC1HDAC7
SCHEMBL27361975 0.83 HDAC6 (0.68) HDAC6HDAC8HDAC3HDAC1HDAC7
SCHEMBL27361718 0.83 HDAC6 (0.63) HDAC6HDAC8HDAC3HDAC1HDAC7
SCHEMBL27361448 0.83 HDAC6 (0.71) HDAC6HDAC8HDAC3HDAC1HDAC7
SCHEMBL27362094 0.81 HDAC6 (0.61) HDAC6HDAC8HDAC3HDAC1HDAC7
SCHEMBL22483025 0.81 HDAC6 (0.78) HDAC6HDAC8HDAC3HDAC1HDAC7

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