SCHEMBL14918446

SCHEMBL14918446

CC(CCCCc1noc(C(F)(F)F)n1)(Cc1cccc(F)c1)C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 13/20 0.36
HDAC6 Q9UBN7 13/20 0.36
HDAC8 Q9BY41 10/20 0.36
HDAC5 Q9UQL6 2/20 0.35
HDAC4 P56524 3/20 0.35
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.33
GLS O94925 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL14918288 0.88 HDAC4 (0.36) HDAC1HDAC6HDAC8HDAC5HDAC4
SCHEMBL14917921 0.88 HDAC6 (0.36) HDAC1HDAC6HDAC8HDAC5HDAC4
SCHEMBL14918350 0.84 HDAC4 (0.37) HDAC1HDAC6HDAC8HDAC4
SCHEMBL14917790 0.82 HDAC6 (0.37) HDAC1HDAC6HDAC8HDAC5HDAC4
SCHEMBL14918522 0.82 HDAC4 (0.44) HDAC1HDAC6HDAC8HDAC5HDAC4
SCHEMBL14918088 0.82 HDAC1 (0.37) HDAC1HDAC6HDAC8HDAC5HDAC4
SCHEMBL14918042 0.80 L3MBTL1 (0.36) HDAC1HDAC6HDAC5HDAC4GAA
SCHEMBL14917977 0.79 HDAC4 (0.35) HDAC1HDAC6HDAC8HDAC5HDAC4
SCHEMBL14917945 0.79 HDAC4 (0.36) HDAC1HDAC6HDAC8HDAC5HDAC4
SCHEMBL14918432 0.76 HDAC8 (0.45) HDAC1HDAC6HDAC8HDAC4LMNA

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

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