SCHEMBL14917875

SCHEMBL14917875

COc1cncc(COC(=O)NCc2ccc(-c3noc(C(F)(F)F)n3)cc2OC)c1

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 0.49
HDAC1 Q13547 7/20 0.49
HDAC5 Q9UQL6 5/20 0.49
HDAC8 Q9BY41 4/20 0.49
HDAC4 P56524 9/20 0.43
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 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
SCHEMBL14918587 0.92 HDAC6 (0.49) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918494 0.92 HDAC6 (0.49) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918479 0.92 HDAC6 (0.47) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14917975 0.91 HDAC6 (0.48) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14917854 0.89 HDAC6 (0.54) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918617 0.85 HDAC6 (0.51) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918118 0.85 HDAC6 (0.51) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918437 0.85 HDAC6 (0.50) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918381 0.85 HDAC6 (0.55) HDAC6HDAC1HDAC5HDAC8HDAC4
SCHEMBL14918547 0.84 HDAC6 (0.47) 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