SCHEMBL14918405

SCHEMBL14918405

FC(F)(F)c1nc(-c2ccc(CNc3nccc(-c4ccc(OCCN5CCOCC5)cc4)n3)nc2)no1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 19/20 0.49
HDAC6 Q9UBN7 19/20 0.49
HDAC1 Q13547 18/20 0.49
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC5 Q9UQL6 1/20 0.49

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
SCHEMBL14917818 0.92 HDAC1 (0.52) HDAC8HDAC6HDAC1HDAC3HDAC4
SCHEMBL14918140 0.91 HDAC6 (0.50) HDAC8HDAC6HDAC1HDAC3HDAC4
SCHEMBL14918575 0.90 HDAC1 (0.59) HDAC8HDAC6HDAC1HDAC3HDAC4
SCHEMBL14918064 0.87 HDAC6 (0.56) HDAC8HDAC6HDAC1HDAC4
SCHEMBL14918323 0.83 HDAC8 (0.55) HDAC8HDAC6HDAC1
SCHEMBL14918670 0.83 HDAC6 (0.54) HDAC8HDAC6HDAC1HDAC5
SCHEMBL14917911 0.82 HDAC1 (0.53) HDAC8HDAC6HDAC1HDAC3HDAC4
SCHEMBL14918860 0.81 HDAC1 (0.61) HDAC8HDAC6HDAC1HDAC3HDAC4
SCHEMBL14917913 0.80 HDAC6 (0.57) HDAC8HDAC6HDAC1HDAC4HDAC5
SCHEMBL14918679 0.78 HDAC6 (0.56) HDAC8HDAC6HDAC1HDAC3HDAC4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013066839-A2 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO claimed
WO-2013066839-A2 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO disclosed