SCHEMBL14919002

SCHEMBL14919002

Cc1ccccc1NC(=O)CCCc1noc(C(F)(F)F)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC1 Q13547 2/20 0.50
HDAC3 O15379 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
LMNA P02545 3/20 0.48
TSHR P16473 1/20 0.48
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
HTT P42858 2/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL14919136 0.97 HDAC1 (0.52) HDAC4HDAC6HDAC1HDAC3HDAC7
SCHEMBL14918400 0.96 HDAC1 (0.51) HDAC4HDAC6HDAC1HDAC3HDAC7
SCHEMBL14918752 0.96 HDAC1 (0.51) HDAC4HDAC6HDAC1HDAC3HDAC7
SCHEMBL14918841 0.96 HDAC1 (0.51) HDAC4HDAC6HDAC1HDAC3HDAC7
SCHEMBL14918797 0.93 LMNA (0.53) HDAC4HDAC6HDAC1HDAC3HDAC7
SCHEMBL14918445 0.86 ALDH1A1 (0.52) HDAC4HDAC6HDAC1HDAC3HDAC7
SCHEMBL14917804 0.86 HDAC1 (0.53) HDAC6HDAC1HDAC3HDAC2HDAC8
SCHEMBL14918873 0.84 HDAC1 (0.48) HDAC4HDAC6HDAC1HDAC3HDAC7
SCHEMBL14918426 0.83 HDAC1 (0.50) HDAC4HDAC6HDAC1HDAC3HDAC7
SCHEMBL14918491 0.83 HDAC1 (0.50) HDAC4HDAC6HDAC1HDAC3HDAC7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013066836-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO claimed
WO-2013066836-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2013-05-10 WO disclosed