SCHEMBL14918797

SCHEMBL14918797

Cc1ccccc1NC(=O)CCc1noc(C(F)(F)F)n1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
TSHR P16473 1/20 0.53
HDAC4 P56524 2/20 0.47
HDAC6 Q9UBN7 2/20 0.47
POLB P06746 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GAA P10253 2/20 0.47
HTT P42858 1/20 0.47
HDAC3 O15379 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
PIN1 Q13526 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
SCHEMBL14919002 0.93 HDAC4 (0.50) LMNATSHRHDAC4HDAC6POLB
SCHEMBL14919136 0.92 HDAC1 (0.52) LMNATSHRHDAC4HDAC6POLB
SCHEMBL14918752 0.91 HDAC1 (0.51) LMNATSHRHDAC4HDAC6POLB
SCHEMBL14918841 0.91 HDAC1 (0.51) LMNATSHRHDAC4HDAC6POLB
SCHEMBL14918400 0.91 HDAC1 (0.51) LMNATSHRHDAC4HDAC6POLB
SCHEMBL14918735 0.85 ALDH1A1 (0.56) LMNATSHRHDAC4HDAC6POLB
SCHEMBL14918585 0.85 HDAC1 (0.55) LMNATSHRHDAC6POLBMEN1
SCHEMBL14918374 0.81 PDK1 (0.44) LMNATSHRHDAC4HDAC6MEN1
SCHEMBL14918873 0.80 HDAC1 (0.48) TSHRHDAC4HDAC6GAAHTT
SCHEMBL14918927 0.80 MAPT (0.52) LMNAHDAC4HDAC6POLBMEN1

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