SCHEMBL22483000

SCHEMBL22483000

CN(CCc1cc(F)c(F)c(F)c1F)Cc1ccc(/C=C/C(=O)NO)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 12/20 0.55
▸ HDAC3 O15379 11/20 0.55
▸ HDAC1 Q13547 12/20 0.51
▸ HDAC8 Q9BY41 8/20 0.51
▸ HDAC2 Q92769 7/20 0.51
▸ HDAC5 Q9UQL6 6/20 0.51
▸ HDAC4 P56524 6/20 0.51
▸ HDAC10 Q969S8 5/20 0.51
▸ KCNH2 Q12809 4/20 0.45
▸ HDAC7 Q8WUI4 3/20 0.44
▸ HDAC11 Q96DB2 3/20 0.44
▸ HDAC9 Q9UKV0 3/20 0.44
▸ MEF2D Q14814 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43

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
SCHEMBL24472755 0.78 HDAC3 (0.57) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL12592142 0.77 HDAC3 (0.71) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL24472710 0.76 HDAC6 (0.55) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL23054865 0.74 HDAC3 (0.75) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL18085923 0.74 HDAC1 (0.68) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL13949851 0.74 HDAC1 (0.79) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL13949775 0.74 HDAC3 (0.65) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL16806926 0.73 HDAC6 (0.54) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL16806678 0.73 HDAC6 (0.51) HDAC6HDAC3HDAC1HDAC8HDAC2
SCHEMBL16806654 0.73 HDAC6 (0.51) HDAC6HDAC3HDAC1HDAC8HDAC2

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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