SCHEMBL14935019

SCHEMBL14935019

O=C(Cc1ccc(-c2noc(C(F)(F)F)n2)cc1)NCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 16/20 0.76
HDAC4 P56524 14/20 0.76
HDAC1 Q13547 8/20 0.62
HDAC8 Q9BY41 5/20 0.62
HDAC5 Q9UQL6 2/20 0.62
HDAC3 O15379 1/20 0.57
HDAC7 Q8WUI4 1/20 0.57
HDAC2 Q92769 1/20 0.57

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
SCHEMBL20593509 1.00 HDAC6 (0.76) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL20593540 0.91 HDAC4 (0.71) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL20593259 0.90 HDAC4 (0.69) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL14935042 0.90 HDAC4 (0.69) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL20593602 0.90 HDAC6 (0.80) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL20593556 0.88 HDAC6 (0.64) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL20593515 0.87 HDAC6 (0.64) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL14935014 0.87 HDAC6 (0.71) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL20593440 0.87 HDAC6 (0.69) HDAC6HDAC4HDAC1HDAC8HDAC5
SCHEMBL22530800 0.87 HDAC4 (0.66) HDAC6HDAC4HDAC1HDAC5HDAC3

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