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SCHEMBL14917846

SCHEMBL14917846

Cc1ccc(COC(=O)N(C)Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)cn1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 15/20 0.59
▸ HDAC6 Q9UBN7 13/20 0.59
▸ HDAC1 Q13547 9/20 0.59
▸ HDAC5 Q9UQL6 3/20 0.59
▸ HDAC2 Q92769 2/20 0.59
▸ HDAC3 O15379 1/20 0.59
▸ HDAC7 Q8WUI4 1/20 0.59
▸ HDAC8 Q9BY41 5/20 0.49

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
SCHEMBL14918082 0.91 HDAC6 (0.52) HDAC4HDAC6HDAC1HDAC5HDAC2
SCHEMBL14918121 0.90 HDAC6 (0.54) HDAC4HDAC6HDAC1HDAC5HDAC2
SCHEMBL14917886 0.90 HDAC4 (0.58) HDAC4HDAC6HDAC1HDAC5HDAC2
SCHEMBL14918631 0.89 HDAC4 (0.57) HDAC4HDAC6HDAC1HDAC5HDAC2
SCHEMBL14918314 0.88 HDAC4 (0.56) HDAC4HDAC6HDAC1HDAC5HDAC2
SCHEMBL14918075 0.87 HDAC4 (0.63) HDAC4HDAC6HDAC1HDAC5HDAC2
SCHEMBL14918117 0.87 HDAC4 (0.55) HDAC4HDAC6HDAC1HDAC5HDAC2
SCHEMBL14918100 0.87 HDAC4 (0.55) HDAC4HDAC6HDAC1HDAC5HDAC2
SCHEMBL14918402 0.85 HDAC6 (0.60) HDAC4HDAC6HDAC1HDAC5HDAC2
SCHEMBL14918720 0.85 HDAC4 (0.57) HDAC4HDAC6HDAC1HDAC5HDAC2

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