SCHEMBL14918090

SCHEMBL14918090

COC(=O)c1ccc(COC(=O)Nc2cnc(-c3noc(C(F)(F)F)n3)cc2C)cn1

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 13/20 0.43
HDAC1 Q13547 9/20 0.43
HDAC5 Q9UQL6 7/20 0.43
HDAC8 Q9BY41 4/20 0.43
HDAC4 P56524 13/20 0.41

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
SCHEMBL14918296 0.88 HDAC6 (0.49) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918514 0.87 HDAC6 (0.44) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918231 0.86 HDAC4 (0.42) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918673 0.85 HDAC4 (0.57) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918690 0.85 HDAC4 (0.48) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918572 0.85 P4HTM (0.43) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918228 0.83 HDAC6 (0.49) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918570 0.83 HDAC6 (0.47) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918259 0.82 HDAC6 (0.41) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918744 0.82 HDAC6 (0.53) HDAC6HDAC1HDAC5HDAC8HDAC4

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