SCHEMBL27361903

SCHEMBL27361903

O=C(NO)c1ccc(CN(Cc2cccnc2)S(=O)(=O)c2ccccc2O)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 0.69
HDAC8 Q9BY41 12/20 0.69
HDAC3 O15379 5/20 0.69
HDAC1 Q13547 4/20 0.69
HDAC2 Q92769 2/20 0.69
HDAC7 Q8WUI4 2/20 0.69
HDAC10 Q969S8 2/20 0.69
HDAC9 Q9UKV0 1/20 0.69
HDAC5 Q9UQL6 1/20 0.69
HDAC11 Q96DB2 9/20 0.54
CXCR3 P49682 1/20 0.49
NCOR2 Q9Y618 1/20 0.48
KMT2A Q03164 1/20 0.46
NAMPT P43490 1/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL27361271 0.88 HDAC6 (0.68) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL27361516 0.88 HDAC6 (0.68) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL27361612 0.84 HDAC6 (0.68) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL30754589 0.84 HDAC6 (0.68) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL27361822 0.84 HDAC6 (0.67) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL27362098 0.82 HDAC6 (0.64) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL22483025 0.82 HDAC6 (0.78) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL22468210 0.82 HDAC6 (1.00) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL27361820 0.81 HDAC6 (0.64) HDAC6HDAC8HDAC3HDAC1HDAC2
SCHEMBL27361611 0.81 HDAC6 (0.63) HDAC6HDAC8HDAC3HDAC1HDAC2

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