SCHEMBL14918649

SCHEMBL14918649

FC(F)(F)c1nc(-c2cnc(CNc3nccc(-c4ccn[nH]4)n3)nc2)no1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 20/20 0.54
HDAC8 Q9BY41 9/20 0.54
HDAC1 Q13547 17/20 0.52
HDAC4 P56524 11/20 0.52

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
SCHEMBL14918581 0.89 HDAC8 (0.71) HDAC6HDAC8HDAC1
SCHEMBL14918096 0.87 HDAC6 (0.66) HDAC6HDAC8HDAC1HDAC4
SCHEMBL14918682 0.82 HDAC6 (0.56) HDAC6HDAC8HDAC1HDAC4
SCHEMBL14918060 0.80 HDAC6 (0.52) HDAC6HDAC8HDAC1HDAC4
SCHEMBL14918596 0.80 HDAC6 (0.52) HDAC6HDAC8HDAC1HDAC4
SCHEMBL14918257 0.79 HDAC6 (0.50) HDAC6HDAC8HDAC1HDAC4
SCHEMBL14918853 0.79 HDAC6 (0.50) HDAC6HDAC8HDAC1HDAC4
SCHEMBL14918586 0.78 HDAC6 (0.50) HDAC6HDAC8HDAC1HDAC4
SCHEMBL14918722 0.78 HDAC6 (0.57) HDAC6HDAC8HDAC1HDAC4
SCHEMBL14917910 0.76 HDAC6 (0.51) HDAC6HDAC8HDAC1HDAC4

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