SCHEMBL14918807

SCHEMBL14918807

O=C(NCc1ccc(-c2noc(C(F)(F)F)n2)cc1F)OCc1cnc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 0.57
HDAC1 Q13547 13/20 0.53
HDAC5 Q9UQL6 6/20 0.53
HDAC4 P56524 8/20 0.52
HDAC8 Q9BY41 8/20 0.47
HDAC3 O15379 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43

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
SCHEMBL14918401 0.91 HDAC6 (0.56) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL14918675 0.90 HDAC6 (0.60) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL14918381 0.90 HDAC6 (0.55) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL14918802 0.87 HDAC6 (0.55) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL14918080 0.85 HDAC6 (0.52) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL14918791 0.84 HDAC6 (0.51) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL14918469 0.84 HDAC6 (0.49) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL14918126 0.84 HDAC6 (0.49) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL14918501 0.83 HDAC6 (0.48) HDAC6HDAC1HDAC5HDAC4HDAC8
SCHEMBL14918301 0.83 HDAC6 (0.47) HDAC6HDAC1HDAC5HDAC4HDAC8

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