SCHEMBL28820241

SCHEMBL28820241

CC(O)(C(=O)Nc1ccccc1)C(C(F)(F)F)S(=O)(=O)C1=CCC(F)(C#N)C=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 6/20 0.37
PDK2 Q15119 6/20 0.37
PDK3 Q15120 6/20 0.37
PDK4 Q16654 6/20 0.37
ABCC9 O60706 10/20 0.35
ABCC8 Q09428 10/20 0.35
KCNJ11 Q14654 10/20 0.35
KCNJ8 Q15842 10/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
MEN1 O00255 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
ABCB11 O95342 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL28077906 0.70 ABCC9 (0.52) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL2782039 0.64 ABCC9 (0.50) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL12965356 0.60 PDK1 (0.59) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL14086882 0.58 PDK1 (0.65) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL16212234 0.58 PDK1 (0.70) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL6359557 0.58 PDK1 (1.00) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL28050469 0.58 PDK1 (1.00) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL3129785 0.57 PDK1 (0.67) PDK1PDK2PDK3PDK4ABCC9
SCHEMBL8866461 0.57 ABCC9 (0.69) ABCC9ABCC8KCNJ11KCNJ8KMT2A
SCHEMBL14086867 0.57 PDK1 (0.54) PDK1PDK2PDK3PDK4ABCC9

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
CN-102711454-B Methods and compositions for enhancing delivery, expression or activity of RNA interference agents AU JESSIE L S 2015-05-20 CN disclosed