SCHEMBL14918015

SCHEMBL14918015

CN(C)c1ccc(CC(C)(CCCCc2noc(C(F)(F)F)n2)C(N)=O)nc1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 18/20 0.36
HDAC6 Q9UBN7 18/20 0.36
HDAC1 Q13547 17/20 0.36
HDAC4 P56524 2/20 0.36
HDAC5 Q9UQL6 3/20 0.35

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
SCHEMBL14918522 0.87 HDAC4 (0.44) HDAC8HDAC6HDAC1HDAC4HDAC5
SCHEMBL14917945 0.84 HDAC4 (0.36) HDAC8HDAC6HDAC1HDAC4HDAC5
SCHEMBL14917921 0.84 HDAC6 (0.36) HDAC8HDAC6HDAC1HDAC4HDAC5
SCHEMBL14917977 0.80 HDAC4 (0.35) HDAC8HDAC6HDAC1HDAC4HDAC5
SCHEMBL14918350 0.78 HDAC4 (0.37) HDAC8HDAC6HDAC1HDAC4
SCHEMBL14918288 0.78 HDAC4 (0.36) HDAC8HDAC6HDAC1HDAC4HDAC5
SCHEMBL14918446 0.77 HDAC1 (0.36) HDAC8HDAC6HDAC1HDAC4HDAC5
SCHEMBL14917790 0.76 HDAC6 (0.37) HDAC8HDAC6HDAC1HDAC4HDAC5
SCHEMBL14918088 0.76 HDAC1 (0.37) HDAC8HDAC6HDAC1HDAC4HDAC5
SCHEMBL14918042 0.74 L3MBTL1 (0.36) HDAC6HDAC1HDAC4HDAC5

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