SCHEMBL14918673

SCHEMBL14918673

COC(=O)c1ccc(COC(=O)Nc2cnc(-c3noc(C(F)(F)F)n3)cn2)cn1

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 8/20 0.45
HDAC5 Q9UQL6 5/20 0.45
HDAC8 Q9BY41 4/20 0.45

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
SCHEMBL14918690 0.88 HDAC4 (0.48) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL14917983 0.88 HDAC6 (0.56) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL14918090 0.85 HDAC6 (0.43) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL14918570 0.85 HDAC6 (0.47) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL14918514 0.84 HDAC6 (0.44) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL14918113 0.84 HDAC4 (0.57) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL14918744 0.84 HDAC6 (0.53) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL14918770 0.84 HDAC6 (0.53) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL14918102 0.82 HDAC6 (0.49) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL14918278 0.81 HDAC6 (0.47) 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