Sugi Predict

Sugi Predict / Compounds / SCHEMBL14918795

SCHEMBL14918795

SCHEMBL14918795

CN(C)c1ccc(COC(=O)N(F)Cc2ccc(-c3noc(C(F)(F)F)n3)cc2)cn1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 13/20 0.52
▸ HDAC6 Q9UBN7 12/20 0.52
▸ HDAC1 Q13547 8/20 0.50
▸ HDAC5 Q9UQL6 4/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ HDAC7 Q8WUI4 1/20 0.50
▸ HDAC2 Q92769 1/20 0.50
▸ HDAC8 Q9BY41 6/20 0.48

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
SCHEMBL14917886 0.92 HDAC4 (0.58) HDAC4HDAC6HDAC1HDAC5HDAC3
SCHEMBL14918284 0.90 HDAC4 (0.55) HDAC4HDAC6HDAC1HDAC5HDAC3
SCHEMBL14918082 0.89 HDAC6 (0.52) HDAC4HDAC6HDAC1HDAC5HDAC3
SCHEMBL14918130 0.87 HDAC6 (0.51) HDAC4HDAC6HDAC1HDAC5HDAC3
SCHEMBL14918474 0.85 HDAC6 (0.48) HDAC4HDAC6HDAC1HDAC5HDAC3
SCHEMBL14918128 0.85 HDAC6 (0.49) HDAC4HDAC6HDAC1HDAC5HDAC3
SCHEMBL14918803 0.85 HDAC6 (0.52) HDAC4HDAC6HDAC1HDAC5HDAC3
SCHEMBL14918430 0.84 HDAC6 (0.46) HDAC4HDAC6HDAC1HDAC5HDAC3
SCHEMBL14918619 0.84 HDAC4 (0.59) HDAC4HDAC6HDAC1HDAC5HDAC8
SCHEMBL14918810 0.83 HDAC6 (0.59) HDAC4HDAC6HDAC1HDAC5HDAC3

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