SCHEMBL14918485

SCHEMBL14918485

COC(=O)c1cncc(COC(=O)Nc2ccc(-c3noc(C(F)(F)F)n3)nc2C)c1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 14/20 0.42
HDAC1 Q13547 8/20 0.42
HDAC5 Q9UQL6 7/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC4 P56524 13/20 0.38

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
SCHEMBL14918231 0.86 HDAC4 (0.42) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918347 0.86 HDAC6 (0.48) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918676 0.85 HDAC4 (0.47) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918514 0.85 HDAC6 (0.44) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918113 0.83 HDAC4 (0.57) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918229 0.82 HDAC6 (0.51) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918580 0.81 HDAC6 (0.45) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918972 0.81 HDAC6 (0.39) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918487 0.81 HDAC6 (0.51) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918749 0.81 HDAC6 (0.46) HDAC6HDAC1HDAC5HDAC8HDAC4

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