SCHEMBL14918113

SCHEMBL14918113

COC(=O)c1cncc(COC(=O)Nc2cnc(-c3noc(C(F)(F)F)n3)cn2)c1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 15/20 0.57
HDAC6 Q9UBN7 12/20 0.57
HDAC1 Q13547 9/20 0.43
HDAC5 Q9UQL6 5/20 0.43
HDAC8 Q9BY41 3/20 0.43

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
SCHEMBL14918676 0.87 HDAC4 (0.47) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL14917942 0.87 HDAC6 (0.55) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL14918231 0.86 HDAC4 (0.42) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL14918580 0.85 HDAC6 (0.45) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL14918673 0.84 HDAC4 (0.57) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL14918487 0.84 HDAC6 (0.51) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL14918485 0.83 HDAC6 (0.42) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL14918749 0.82 HDAC6 (0.46) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL14918229 0.82 HDAC6 (0.51) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL14918168 0.81 HDAC6 (0.48) HDAC4HDAC6HDAC1HDAC5HDAC8

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013066835-A2 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO disclosed