SCHEMBL19848306

SCHEMBL19848306

N=Nc1cc(CC(F)(F)F)ccc1NC(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 11/20 0.35
▸ PDK2 Q15119 11/20 0.35
▸ PDK3 Q15120 11/20 0.35
▸ PDK4 Q16654 11/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KLK7 P49862 1/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ NR1H4 Q96RI1 1/20 0.32
▸ PTPN5 P54829 1/20 0.32

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
SCHEMBL19848387 0.72 L3MBTL1 (0.37) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL7103094 0.66 PDK1 (0.46) PDK1PDK2PDK3PDK4
SCHEMBL5774643 0.65 CA1 (0.41) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL19848407 0.65 L3MBTL1 (0.37) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL29659891 0.64 HDAC4 (0.42) L3MBTL1EPHX2NR1H4
SCHEMBL2851160 0.64 NR1H4 (0.42) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL22262290 0.64 HDAC4 (0.42) L3MBTL1EPHX2NR1H4
SCHEMBL28091743 0.63 PDK1 (0.69) PDK1PDK2PDK3PDK4MAPT
SCHEMBL6988369 0.63 CYP4F2 (0.43) PDK1PDK2PDK3PDK4L3MBTL1
SCHEMBL28218974 0.63 ALDH1A1 (0.36) MAPTEPHX2NR1H4

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
EP-3279997-A1 NONAQUEOUS ELECTROLYTE AND NONAQUEOUS SECONDARY BATTERY Asahi Kasei Kabushiki Kaisha (JP) 2018-02-07 — — EP disclosed
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