SCHEMBL14918261

SCHEMBL14918261

COc1ccncc1COC(=O)NCc1ccc(-c2noc(C(F)(F)F)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 17/20 0.52
HDAC1 Q13547 11/20 0.52
HDAC8 Q9BY41 10/20 0.52
HDAC5 Q9UQL6 4/20 0.52
HDAC4 P56524 8/20 0.51
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL14918437 0.90 HDAC6 (0.50) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL14918826 0.89 HDAC6 (0.59) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL14918708 0.88 HDAC6 (0.49) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL14918527 0.88 HDAC6 (0.49) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL14918712 0.84 HDAC6 (0.49) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL14918528 0.83 HDAC4 (0.55) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL14918440 0.83 HDAC6 (0.51) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL14918678 0.83 HDAC6 (0.54) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL14918206 0.83 HDAC6 (0.61) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL14918710 0.82 HDAC6 (0.57) HDAC6HDAC1HDAC8HDAC5HDAC4

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