SCHEMBL2274422

SCHEMBL2274422

NC(=O)CCC(CCc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(C(=O)C(F)(F)F)s1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 11/20 0.42
HDAC1 Q13547 8/20 0.42
HDAC4 P56524 7/20 0.42
DDX3X O00571 1/20 0.34
HDAC8 Q9BY41 1/20 0.32
MAP2K4 P45985 1/20 0.31
AOC3 Q16853 3/20 0.30
C3AR1 Q16581 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
SCHEMBL2269229 0.85 HDAC6 (0.40) HDAC6HDAC1HDAC4MAP2K4AOC3
SCHEMBL2270409 0.80 HDAC6 (0.45) HDAC6HDAC1HDAC4DDX3XHDAC8
SCHEMBL2221120 0.79 HDAC6 (0.41) HDAC6HDAC1HDAC4HDAC8
SCHEMBL2223073 0.73 HDAC6 (0.40) HDAC6HDAC1HDAC4HDAC8
SCHEMBL2223217 0.72 HDAC1 (0.45) HDAC6HDAC1HDAC4DDX3XHDAC8
SCHEMBL2277976 0.69 HDAC6 (0.41) HDAC6HDAC1HDAC4AOC3
SCHEMBL2222389 0.67 AOC3 (0.45) AOC3
SCHEMBL12517101 0.64 HDAC6 (0.42) HDAC6HDAC1HDAC4DDX3XHDAC8
SCHEMBL14297327 0.62 HPGD (0.40) HDAC6HDAC1HDAC4DDX3XHDAC8
SCHEMBL3098544 0.60 HDAC6 (1.00) HDAC6HDAC1HDAC4HDAC8

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