SCHEMBL2269229

SCHEMBL2269229

CC(C)(CC(CCC(N)=O)c1ccc(C(=O)C(F)(F)F)s1)c1nc(-c2ccc(F)cc2)n[nH]1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 10/20 0.40
HDAC1 Q13547 7/20 0.40
HDAC4 P56524 7/20 0.40
AOC3 Q16853 2/20 0.32
PDK2 Q15119 3/20 0.31
BACE1 P56817 1/20 0.31
MAP2K4 P45985 1/20 0.30
XDH P47989 1/20 0.30

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
SCHEMBL2274422 0.85 HDAC6 (0.42) HDAC6HDAC1HDAC4AOC3MAP2K4
SCHEMBL2277976 0.80 HDAC6 (0.41) HDAC6HDAC1HDAC4AOC3PDK2
SCHEMBL2223073 0.79 HDAC6 (0.40) HDAC6HDAC1HDAC4
SCHEMBL12517101 0.72 HDAC6 (0.42) HDAC6HDAC1HDAC4PDK2
SCHEMBL2221120 0.72 HDAC6 (0.41) HDAC6HDAC1HDAC4
SCHEMBL2270409 0.69 HDAC6 (0.45) HDAC6HDAC1HDAC4MAP2K4
SCHEMBL2225117 0.68 ULK1 (0.46) HDAC6HDAC1HDAC4
SCHEMBL2224659 0.66 AOC3 (0.47) AOC3PDK2
SCHEMBL14297321 0.64 HPGD (0.38) HDAC6HDAC1HDAC4PDK2
SCHEMBL2223217 0.62 HDAC1 (0.45) HDAC6HDAC1HDAC4

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