SCHEMBL22482992

SCHEMBL22482992

CC(C)N(Cc1ccc(C(O)NO)cc1F)S(=O)(=O)c1cc(F)c(F)c(F)c1F

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 11/20 0.57
▸ HDAC6 Q9UBN7 16/20 0.55
▸ HDAC2 Q92769 2/20 0.55
▸ HDAC11 Q96DB2 6/20 0.40
▸ HDAC3 O15379 5/20 0.39
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ BMP1 P13497 1/20 0.34
▸ CA2 P00918 1/20 0.32
▸ MMP1 P03956 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ MMP8 P22894 1/20 0.32
▸ MMP13 P45452 1/20 0.32

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
SCHEMBL22483007 0.81 HDAC8 (0.79) HDAC8HDAC6HDAC2HDAC11HDAC3
SCHEMBL22482884 0.79 HDAC6 (0.55) HDAC8HDAC6HDAC2HDAC11HDAC3
SCHEMBL22482906 0.75 HDAC6 (0.65) HDAC8HDAC6HDAC2HDAC11HDAC3
SCHEMBL22482986 0.73 HDAC8 (1.00) HDAC8HDAC6HDAC2HDAC11HDAC3
SCHEMBL22482736 0.71 HDAC6 (1.00) HDAC8HDAC6HDAC2HDAC11HDAC3
SCHEMBL22482915 0.69 HDAC6 (0.53) HDAC8HDAC6HDAC2HDAC11HDAC3
SCHEMBL20847640 0.67 HDAC6 (0.48) HDAC8HDAC6HDAC2HDAC11HDAC3
SCHEMBL22482885 0.65 HDAC6 (0.59) HDAC8HDAC6HDAC2HDAC11HDAC3
SCHEMBL20847653 0.62 HDAC8 (0.50) HDAC8HDAC6HDAC11HDAC3CA2
SCHEMBL22909297 0.60 HDAC6 (0.42) HDAC8HDAC6HDAC2HDAC11HDAC3

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-2020194272-A1 HALOGENATED PHENYLSULFONAMIDE HYDROXAMIC ACID COMPOUNDS, COMPOSITIONS AND USES THEREOF AS SELECTIVE HDAC6 INHIBITORS 2681603 ONTARIO INC. (CA) 2020-10-01 — — WO disclosed
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