SCHEMBL14918547

SCHEMBL14918547

COc1cc(-c2noc(C(F)(F)F)n2)ccc1CNC(=O)OCc1cncc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 14/20 0.47
HDAC1 Q13547 8/20 0.47
HDAC5 Q9UQL6 6/20 0.47
HDAC8 Q9BY41 4/20 0.47
HDAC4 P56524 6/20 0.44
KMT2A Q03164 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.40
ICAM1 P05362 1/20 0.40
SELE P16581 1/20 0.40

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
SCHEMBL14918805 0.90 HDAC6 (0.47) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918962 0.90 HDAC6 (0.52) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918595 0.87 HDAC6 (0.47) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918437 0.87 HDAC6 (0.50) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918710 0.87 HDAC6 (0.57) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918678 0.85 HDAC6 (0.54) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14917875 0.84 HDAC6 (0.49) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918587 0.84 HDAC6 (0.49) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918381 0.83 HDAC6 (0.55) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14917975 0.83 HDAC6 (0.48) 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