SCHEMBL14918040

SCHEMBL14918040

Cc1ccncc1COC(=O)N(C)Cc1ccc(-c2noc(C(F)(F)F)n2)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 13/20 0.58
HDAC1 Q13547 9/20 0.58
HDAC8 Q9BY41 7/20 0.58
HDAC5 Q9UQL6 3/20 0.58
HDAC4 P56524 13/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC3 O15379 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56

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
SCHEMBL14918227 0.92 HDAC6 (0.59) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL14918680 0.90 HDAC6 (0.58) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL14918528 0.90 HDAC4 (0.55) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL14918763 0.84 HDAC4 (0.55) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL14918806 0.84 HDAC4 (0.59) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL14918251 0.84 HDAC6 (0.59) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL14918720 0.83 HDAC4 (0.57) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL14918826 0.83 HDAC6 (0.59) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL14917846 0.83 HDAC4 (0.59) HDAC6HDAC1HDAC8HDAC5HDAC4
SCHEMBL14918509 0.81 HDAC6 (0.58) 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