SCHEMBL14554385

SCHEMBL14554385

COC(CNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1)OC

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 18/20 0.59
HDAC1 Q13547 6/20 0.58
HDAC7 Q8WUI4 3/20 0.58
HDAC8 Q9BY41 3/20 0.58
HDAC9 Q9UKV0 3/20 0.58
HDAC5 Q9UQL6 3/20 0.58
HDAC6 Q9UBN7 14/20 0.56
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
GAA P10253 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50

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
SCHEMBL2225078 0.83 HDAC4 (0.61) HDAC4HDAC1HDAC7HDAC8HDAC9
SCHEMBL14554362 0.82 HDAC4 (0.76) HDAC4HDAC1HDAC7HDAC8HDAC9
SCHEMBL14485358 0.81 HDAC4 (0.61) HDAC4HDAC1HDAC7HDAC8HDAC9
SCHEMBL6973570 0.80 HDAC4 (0.59) HDAC4HDAC1HDAC7HDAC8HDAC9
SCHEMBL29757325 0.80 HDAC6 (0.78) HDAC4HDAC1HDAC7HDAC8HDAC9
SCHEMBL2227112 0.80 HDAC4 (0.60) HDAC4HDAC1HDAC7HDAC8HDAC9
SCHEMBL21175486 0.79 HDAC4 (0.61) HDAC4HDAC1HDAC6
SCHEMBL14485041 0.78 HDAC4 (0.63) HDAC4HDAC1HDAC7HDAC8HDAC9
SCHEMBL2229930 0.77 HDAC4 (0.60) HDAC4HDAC1HDAC7HDAC8HDAC9
SCHEMBL2282081 0.76 HDAC4 (0.61) HDAC4HDAC1HDAC7HDAC8HDAC9

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-2013006408-A1 COMPOUNDS AND METHODS TEMPERO PHARMACEUTICALS, INC. (US) 2013-01-10 WO disclosed