SCHEMBL14918355

SCHEMBL14918355

FC(F)(F)c1nc(-c2cnc(CNc3cccc(-c4cccnc4)c3)nc2)no1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 19/20 0.60
HDAC1 Q13547 17/20 0.60
HDAC8 Q9BY41 11/20 0.60
HDAC4 P56524 7/20 0.60

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
SCHEMBL14918665 0.88 HDAC6 (0.74) HDAC6HDAC1HDAC8HDAC4
SCHEMBL14918230 0.87 HDAC6 (0.80) HDAC6HDAC1HDAC8HDAC4
SCHEMBL14917912 0.83 HDAC6 (0.59) HDAC6HDAC1HDAC8HDAC4
SCHEMBL14918170 0.82 HDAC6 (0.63) HDAC6HDAC1HDAC8HDAC4
SCHEMBL14918138 0.82 HDAC6 (0.57) HDAC6HDAC1HDAC8HDAC4
SCHEMBL14917947 0.81 HDAC6 (0.59) HDAC6HDAC1HDAC8HDAC4
SCHEMBL14918136 0.81 HDAC6 (0.59) HDAC6HDAC1HDAC8HDAC4
SCHEMBL17394582 0.80 HDAC6 (0.56) HDAC6HDAC1HDAC8HDAC4
SCHEMBL14918189 0.78 HDAC6 (0.53) HDAC6HDAC1HDAC8HDAC4
SCHEMBL14972195 0.76 CHRNB2 (0.63) 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