SCHEMBL14554362

SCHEMBL14554362

CNCCNC(=O)c1cccc(-c2noc(C(F)(F)F)n2)c1

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 19/20 0.76
HDAC6 Q9UBN7 15/20 0.76
HDAC1 Q13547 7/20 0.76
HDAC8 Q9BY41 5/20 0.60
HDAC7 Q8WUI4 4/20 0.60
HDAC9 Q9UKV0 4/20 0.60
HDAC5 Q9UQL6 4/20 0.60
HDAC2 Q92769 3/20 0.55
HDAC3 O15379 2/20 0.55
HDAC10 Q969S8 2/20 0.55
HDAC11 Q96DB2 2/20 0.55

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
SCHEMBL2227112 0.87 HDAC4 (0.60) HDAC4HDAC6HDAC1HDAC8HDAC7
SCHEMBL14645633 0.86 HDAC4 (1.00) HDAC4HDAC6HDAC1HDAC8HDAC7
SCHEMBL2225078 0.86 HDAC4 (0.61) HDAC4HDAC6HDAC1HDAC8HDAC7
SCHEMBL14485358 0.85 HDAC4 (0.61) HDAC4HDAC6HDAC1HDAC8HDAC7
SCHEMBL14485041 0.84 HDAC4 (0.63) HDAC4HDAC6HDAC1HDAC8HDAC7
SCHEMBL2283701 0.83 HDAC4 (0.66) HDAC4HDAC6HDAC1HDAC8HDAC7
SCHEMBL29757325 0.82 HDAC6 (0.78) HDAC4HDAC6HDAC1HDAC8HDAC7
SCHEMBL14554385 0.82 HDAC4 (0.59) HDAC4HDAC6HDAC1HDAC8HDAC7
SCHEMBL2362796 0.81 HDAC4 (0.71) HDAC4HDAC6HDAC1HDAC8HDAC7
SCHEMBL14554408 0.80 HDAC4 (0.58) HDAC4HDAC6HDAC1HDAC8HDAC7

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