SCHEMBL14918896

SCHEMBL14918896

CC(C)(CCCCc1noc(C(F)(F)F)n1)C(=O)Nc1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
HTT P42858 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC6 Q9UBN7 6/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC8 Q9BY41 3/20 0.41
HDAC4 P56524 7/20 0.40
LMNA P02545 2/20 0.39
MAPK14 Q16539 1/20 0.38
ABCC9 O60706 2/20 0.38
ABCC8 Q09428 2/20 0.38
KCNJ11 Q14654 2/20 0.38
KCNJ8 Q15842 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL14918747 0.90 HDAC6 (0.48) MEN1KMT2AHTTMAPTL3MBTL1
SCHEMBL14919176 0.89 PDK1 (0.45) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL14918889 0.89 MEN1 (0.38) MEN1KMT2AHTTALDH1A1MAPT
SCHEMBL14918432 0.88 HDAC8 (0.45) MEN1KMT2AHTTMAPTHDAC6
SCHEMBL14918730 0.85 HDAC6 (0.40) HTTHDAC6HDAC1HDAC8HDAC4
SCHEMBL14918928 0.84 HDAC4 (0.45) MEN1KMT2AHTTALDH1A1HDAC6
SCHEMBL14918455 0.84 HDAC6 (0.51) MEN1KMT2AALDH1A1L3MBTL1HDAC6
SCHEMBL14918924 0.83 HDAC1 (0.48) KMT2AHTTMAPTL3MBTL1HDAC6
SCHEMBL14918772 0.83 PDK1 (0.44) MEN1KMT2AALDH1A1HDAC6HDAC1
SCHEMBL14919134 0.82 HDAC1 (0.50) MEN1KMT2AALDH1A1MAPTHDAC6

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