SCHEMBL27840643

SCHEMBL27840643

[CH2]CC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
HDAC3 O15379 1/20 0.60
HDAC4 P56524 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC7 Q8WUI4 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC9 Q9UKV0 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
POLB P06746 2/20 0.59
PFKFB3 Q16875 1/20 0.59
ITGA1 P56199 2/20 0.58
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HTR6 P50406 3/20 0.54
IL1RN P18510 1/20 0.53
KEAP1 Q14145 1/20 0.53
ERAP1 Q9NZ08 1/20 0.53

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
SCHEMBL4606413 0.86 HDAC2 (0.60) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL3135135 0.84 HTR6 (0.60) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL15946029 0.83 HDAC2 (0.64) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL894613 0.83 POLB (0.82) HDAC2HDAC8HDAC6POLBPFKFB3
SCHEMBL3127728 0.81 HDAC2 (0.56) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL10386045 0.81 POLB (0.64) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL2941161 0.81 CA12 (0.69) HDAC2HDAC8HDAC6POLBPFKFB3
SCHEMBL30493181 0.81 ATIC (0.71) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL10386046 0.81 ATIC (0.71) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL27180159 0.79 MAPT (0.76) HDAC2HDAC8HDAC6POLBPFKFB3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102197023-B Compounds for the treatment of ophthalmic diseases and disorders ACUCELA INC. (US) 2015-12-16 CN disclosed
CN-102197023-A Compounds for the treatment of ophthalmic diseases and disorders ACUCELA INC 2011-09-21 CN disclosed