SCHEMBL14918522

SCHEMBL14918522

CN(C)c1ccc(CC(C)(CCCCc2noc(C(F)(F)F)n2)C(N)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 17/20 0.44
HDAC6 Q9UBN7 11/20 0.39
HDAC1 Q13547 5/20 0.34
HDAC8 Q9BY41 4/20 0.34
HDAC3 O15379 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC5 Q9UQL6 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
SCHEMBL14918350 0.89 HDAC4 (0.37) HDAC4HDAC6HDAC1HDAC8
SCHEMBL14918288 0.89 HDAC4 (0.36) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL14917921 0.89 HDAC6 (0.36) HDAC4HDAC6HDAC1HDAC8HDAC3
SCHEMBL14917945 0.87 HDAC4 (0.36) HDAC4HDAC6HDAC1HDAC8HDAC3
SCHEMBL14918015 0.87 HDAC8 (0.36) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL14918088 0.86 HDAC1 (0.37) HDAC4HDAC6HDAC1HDAC8HDAC2
SCHEMBL14917977 0.83 HDAC4 (0.35) HDAC4HDAC6HDAC1HDAC8HDAC3
SCHEMBL14918446 0.82 HDAC1 (0.36) HDAC4HDAC6HDAC1HDAC8HDAC3
SCHEMBL14917790 0.79 HDAC6 (0.37) HDAC4HDAC6HDAC1HDAC8HDAC3
SCHEMBL14918042 0.79 L3MBTL1 (0.36) HDAC4HDAC6HDAC1HDAC5

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
WO-2013066836-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO claimed
WO-2013066836-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO disclosed