SCHEMBL14918773

SCHEMBL14918773

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

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 18/20 0.56
HDAC1 Q13547 14/20 0.56
HDAC8 Q9BY41 12/20 0.56
HDAC5 Q9UQL6 4/20 0.54
HDAC4 P56524 6/20 0.52

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
SCHEMBL14918238 0.90 HDAC6 (0.53) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL14918469 0.89 HDAC6 (0.49) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL14918311 0.88 HDAC6 (0.50) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL14917937 0.87 HDAC6 (0.58) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL14918681 0.87 HDAC6 (0.51) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL14917971 0.85 HDAC6 (0.52) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL14918602 0.85 HDAC6 (0.54) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL14918328 0.85 HDAC6 (0.60) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL14918619 0.84 HDAC4 (0.59) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL14918765 0.84 HDAC6 (0.52) HDAC6HDAC1HDAC8HDAC5HDAC4

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