SCHEMBL14918150

SCHEMBL14918150

FC(F)(F)c1nc(-c2ccc(CNc3nccc(-c4cccnc4)n3)cc2)no1

nearest known ligand 0.69

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 20/20 0.69
HDAC1 Q13547 18/20 0.69
HDAC8 Q9BY41 12/20 0.69
HDAC4 P56524 8/20 0.63
HDAC3 O15379 1/20 0.58
NCOR1 O75376 1/20 0.58
HDAC2 Q92769 1/20 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
SCHEMBL14918490 0.88 HDAC6 (0.64) HDAC6HDAC1HDAC8HDAC4
SCHEMBL14918454 0.87 HDAC6 (0.70) HDAC6HDAC1HDAC8HDAC4
SCHEMBL14918062 0.86 HDAC6 (0.69) HDAC6HDAC1HDAC8HDAC4
SCHEMBL14918119 0.85 HDAC1 (0.66) HDAC6HDAC1HDAC8HDAC4
SCHEMBL14918305 0.84 HDAC6 (0.69) HDAC6HDAC1HDAC8HDAC4
SCHEMBL14917787 0.84 HDAC6 (0.69) HDAC6HDAC1HDAC8HDAC4
SCHEMBL14918277 0.83 HDAC6 (0.66) HDAC6HDAC1HDAC8HDAC4
SCHEMBL14918226 0.83 HDAC6 (0.62) HDAC6HDAC1HDAC8HDAC4
SCHEMBL14918252 0.83 HDAC6 (0.62) HDAC6HDAC1HDAC8HDAC4
SCHEMBL14918084 0.83 HDAC6 (0.62) 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 3 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
WO-2013066839-A2 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO disclosed