SCHEMBL14917787

SCHEMBL14917787

FC(F)(F)c1nc(-c2ccc(CNc3cncc(-c4cccnc4)n3)cc2)no1

nearest known ligand 0.69

Predicted protein targets (top 4)

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

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
SCHEMBL14918062 0.90 HDAC6 (0.69) HDAC6HDAC1HDAC8HDAC4
SCHEMBL14917687 0.87 HDAC6 (0.72) HDAC6HDAC1HDAC8HDAC4
SCHEMBL14917947 0.87 HDAC6 (0.59) HDAC6HDAC1HDAC8HDAC4
SCHEMBL14918277 0.85 HDAC6 (0.66) HDAC6HDAC1HDAC8HDAC4
SCHEMBL17394571 0.85 HDAC6 (0.64) HDAC6HDAC1HDAC8HDAC4
SCHEMBL14918305 0.84 HDAC6 (0.69) HDAC6HDAC1HDAC8HDAC4
SCHEMBL14918150 0.84 HDAC6 (0.69) HDAC6HDAC1HDAC8HDAC4
SCHEMBL14917848 0.82 HDAC1 (0.61) HDAC6HDAC1HDAC8HDAC4
SCHEMBL19746810 0.82 HDAC6 (1.00) HDAC6HDAC1HDAC8HDAC4
SCHEMBL19745104 0.82 HDAC6 (1.00) 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