SCHEMBL2277976

SCHEMBL2277976

CC(C)(CC(CCc1ccc(C(=O)C(F)(F)F)s1)C(N)=O)c1nc(-c2ccc(F)cc2)n[nH]1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 14/20 0.41
HDAC4 P56524 11/20 0.41
HDAC1 Q13547 9/20 0.41
HDAC3 O15379 1/20 0.32
AOC3 Q16853 2/20 0.31
PDK2 Q15119 3/20 0.31
BACE1 P56817 1/20 0.31

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
SCHEMBL2270409 0.86 HDAC6 (0.45) HDAC6HDAC4HDAC1HDAC3
SCHEMBL2269229 0.80 HDAC6 (0.40) HDAC6HDAC4HDAC1AOC3PDK2
SCHEMBL12517101 0.79 HDAC6 (0.42) HDAC6HDAC4HDAC1PDK2
SCHEMBL14297321 0.71 HPGD (0.38) HDAC6HDAC4HDAC1HDAC3PDK2
SCHEMBL2223217 0.69 HDAC1 (0.45) HDAC6HDAC4HDAC1HDAC3
SCHEMBL2221964 0.69 HDAC6 (0.41) HDAC6HDAC4HDAC1HDAC3
SCHEMBL2274422 0.69 HDAC6 (0.42) HDAC6HDAC4HDAC1AOC3
SCHEMBL2225117 0.68 ULK1 (0.46) HDAC6HDAC4HDAC1
SCHEMBL2223818 0.67 HDAC1 (0.35) HDAC6HDAC4HDAC1HDAC3
SCHEMBL2224659 0.66 AOC3 (0.47) AOC3PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013009812-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC (US) 2013-01-17 WO claimed
EP-2523560-A1 COMPOUNDS AND METHODS Tempero Pharmaceuticals, Inc. (US) 2012-11-21 EP claimed
WO-2011088187-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2011-07-21 WO claimed
WO-2013009812-A1 METHODS OF TREATMENT TEMPERO PHARMACEUTICALS, INC (US) 2013-01-17 WO disclosed
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