SCHEMBL14918619

SCHEMBL14918619

CN(C)c1ccc(COC(=O)NCc2ccc(-c3noc(C(F)(F)F)n3)cc2)cn1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 12/20 0.59
HDAC6 Q9UBN7 16/20 0.55
HDAC1 Q13547 9/20 0.55
HDAC8 Q9BY41 7/20 0.55
HDAC5 Q9UQL6 4/20 0.55

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
SCHEMBL14917882 0.90 HDAC6 (0.51) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL14918791 0.90 HDAC6 (0.51) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL14918282 0.88 HDAC6 (0.51) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL14917937 0.88 HDAC6 (0.58) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL14918602 0.86 HDAC6 (0.54) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL14918238 0.85 HDAC6 (0.53) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL14918765 0.85 HDAC6 (0.52) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL14918328 0.84 HDAC6 (0.60) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL14918773 0.84 HDAC6 (0.56) HDAC4HDAC6HDAC1HDAC8HDAC5
SCHEMBL14917886 0.84 HDAC4 (0.58) HDAC4HDAC6HDAC1HDAC8HDAC5

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-2013066835-A2 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO disclosed