SCHEMBL2221964

SCHEMBL2221964

CN(C)CCC(CC(CCc1ccc(C(=O)C(F)(F)F)s1)C(N)=O)c1coc(-c2ccc(F)cc2)n1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 0.41
HDAC4 P56524 14/20 0.41
HDAC1 Q13547 13/20 0.41
HDAC3 O15379 4/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34

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
SCHEMBL2222370 0.83 HDAC6 (0.36) HDAC6HDAC4HDAC1HDAC3HDAC7
SCHEMBL2221115 0.78 HCRTR1 (0.32) HDAC6HDAC4HDAC1HDAC8
SCHEMBL14297329 0.75 HPGD (0.35) HDAC6HDAC4HDAC1HDAC3HDAC7
SCHEMBL2223818 0.74 HDAC1 (0.35) HDAC6HDAC4HDAC1HDAC3HDAC8
SCHEMBL6976073 0.72 HDAC8 (0.36) HDAC6HDAC1HDAC8
SCHEMBL2270409 0.71 HDAC6 (0.45) HDAC6HDAC4HDAC1HDAC3HDAC8
SCHEMBL2277976 0.69 HDAC6 (0.41) HDAC6HDAC4HDAC1HDAC3
SCHEMBL2221120 0.67 HDAC6 (0.41) HDAC6HDAC4HDAC1HDAC3HDAC7
SCHEMBL2223073 0.66 HDAC6 (0.40) HDAC6HDAC4HDAC1HDAC3HDAC7
SCHEMBL2221125 0.66 HDAC4 (0.38) HDAC6HDAC4HDAC1HDAC7HDAC8

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
EP-2523560-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP disclosed
WO-2011088187-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO disclosed