SCHEMBL2270409

SCHEMBL2270409

NC(=O)C(CCc1nc(-c2ccc(F)cc2)n[nH]1)CCc1ccc(C(=O)C(F)(F)F)s1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 16/20 0.45
HDAC4 P56524 12/20 0.45
HDAC1 Q13547 11/20 0.45
DDX3X O00571 1/20 0.35
HDAC8 Q9BY41 1/20 0.32
MAP2K4 P45985 1/20 0.32
HDAC3 O15379 1/20 0.32

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
SCHEMBL2277976 0.86 HDAC6 (0.41) HDAC6HDAC4HDAC1HDAC3
SCHEMBL2274422 0.80 HDAC6 (0.42) HDAC6HDAC4HDAC1DDX3XHDAC8
SCHEMBL2223217 0.79 HDAC1 (0.45) HDAC6HDAC4HDAC1DDX3XHDAC8
SCHEMBL2221964 0.71 HDAC6 (0.41) HDAC6HDAC4HDAC1HDAC8HDAC3
SCHEMBL12517101 0.70 HDAC6 (0.42) HDAC6HDAC4HDAC1DDX3XHDAC8
SCHEMBL14297327 0.69 HPGD (0.40) HDAC6HDAC4HDAC1DDX3XHDAC8
SCHEMBL2223818 0.69 HDAC1 (0.35) HDAC6HDAC4HDAC1HDAC8HDAC3
SCHEMBL2269229 0.69 HDAC6 (0.40) HDAC6HDAC4HDAC1MAP2K4
SCHEMBL2222389 0.68 AOC3 (0.45)
SCHEMBL3098544 0.63 HDAC6 (1.00) HDAC6HDAC4HDAC1HDAC8HDAC3

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