SCHEMBL24577995

SCHEMBL24577995

O=C(NO)c1c(F)cc(CN2C(=O)c3ccccc3S2(=O)=O)cc1-c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 6/20 0.70
▸ HDAC4 P56524 2/20 0.70
▸ HDAC7 Q8WUI4 2/20 0.70
▸ HDAC8 Q9BY41 2/20 0.70
▸ HDAC6 Q9UBN7 2/20 0.70
▸ HDAC9 Q9UKV0 2/20 0.70
▸ HDAC5 Q9UQL6 2/20 0.70
▸ HDAC2 Q92769 4/20 0.60
▸ CA12 O43570 14/20 0.53
▸ CA9 Q16790 12/20 0.53
▸ CA1 P00915 4/20 0.52
▸ CA2 P00918 3/20 0.52

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
SCHEMBL24579653 0.89 HDAC1 (0.60) HDAC1HDAC4HDAC7HDAC8HDAC6
SCHEMBL24579650 0.87 HDAC1 (0.57) HDAC1HDAC4HDAC7HDAC8HDAC6
SCHEMBL3937523 0.76 HDAC1 (1.00) HDAC1HDAC4HDAC7HDAC8HDAC6
SCHEMBL24579674 0.75 HDAC1 (0.80) HDAC1HDAC4HDAC7HDAC8HDAC6
SCHEMBL24579678 0.73 HDAC1 (0.76) HDAC1HDAC4HDAC7HDAC8HDAC6
SCHEMBL1172438 0.72 CA12 (1.00) HDAC1HDAC2CA12CA9CA1
SCHEMBL30527996 0.72 CA12 (1.00) HDAC1HDAC2CA12CA9CA1
SCHEMBL24578003 0.71 HDAC1 (0.58) HDAC1HDAC4HDAC7HDAC8HDAC6
SCHEMBL3940608 0.69 CA12 (0.76) HDAC1HDAC4HDAC7HDAC8HDAC6
SCHEMBL31752672 0.69 CA12 (0.70) HDAC1HDAC4HDAC7HDAC8HDAC6

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-2022133551-A1 HISTONE DEACETYLASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2022-06-30 — — WO disclosed
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