SCHEMBL14918490

SCHEMBL14918490

FC(F)(F)c1nc(-c2ccc(CNc3nccc(-c4cccnc4)n3)nc2)no1

nearest known ligand 0.64

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 20/20 0.64
HDAC1 Q13547 19/20 0.64
HDAC8 Q9BY41 17/20 0.64
HDAC4 P56524 2/20 0.58

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
SCHEMBL14918150 0.88 HDAC6 (0.69) HDAC6HDAC1HDAC8HDAC4
SCHEMBL14918427 0.88 HDAC6 (0.69) HDAC6HDAC1HDAC8HDAC4
SCHEMBL14918413 0.87 HDAC8 (0.71) HDAC6HDAC1HDAC8
SCHEMBL14918297 0.87 HDAC6 (0.60) HDAC6HDAC1HDAC8HDAC4
SCHEMBL14917687 0.86 HDAC6 (0.72) HDAC6HDAC1HDAC8HDAC4
SCHEMBL14918157 0.85 HDAC6 (0.71) HDAC6HDAC1HDAC8HDAC4
SCHEMBL14918583 0.85 HDAC8 (0.57) HDAC6HDAC1HDAC8
SCHEMBL14918191 0.85 HDAC8 (0.59) HDAC6HDAC1HDAC8
SCHEMBL14918358 0.84 HDAC8 (0.59) HDAC6HDAC1HDAC8
SCHEMBL14917960 0.84 HDAC6 (0.67) HDAC6HDAC1HDAC8HDAC4

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