SCHEMBL14917854

SCHEMBL14917854

COc1cncc(COC(=O)NCc2ccc(-c3noc(C(F)(F)F)n3)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 18/20 0.54
HDAC1 Q13547 9/20 0.54
HDAC8 Q9BY41 7/20 0.54
HDAC4 P56524 11/20 0.52
HDAC5 Q9UQL6 4/20 0.51

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
SCHEMBL14918242 0.89 HDAC6 (0.54) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL14917958 0.89 HDAC6 (0.55) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL14918494 0.89 HDAC6 (0.49) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL14917875 0.89 HDAC6 (0.49) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL14918479 0.89 HDAC6 (0.47) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL14918602 0.84 HDAC6 (0.54) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL14918206 0.83 HDAC6 (0.61) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL14918482 0.83 HDAC4 (0.55) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL14917878 0.83 HDAC6 (0.52) HDAC6HDAC1HDAC8HDAC4HDAC5
SCHEMBL14918496 0.83 HDAC6 (0.51) HDAC6HDAC1HDAC8HDAC4HDAC5

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