SCHEMBL20054464

SCHEMBL20054464

CC(C)(C)OC(=O)NC(c1nc2ccc(-c3ccc(B4OC(C)(C)C(C)(C)O4)cc3)cc2[nH]1)C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 9/20 0.52
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
LIPG Q9Y5X9 4/20 0.36
LPL P06858 2/20 0.36
SCN10A Q9Y5Y9 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
SNCA P37840 1/20 0.34
MLKL Q8NB16 1/20 0.34

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
SCHEMBL15116827 1.00 AAK1 (0.52) AAK1PRMT5WDR77LIPGLPL
SCHEMBL16532832 0.93 AAK1 (0.44) AAK1PRMT5WDR77SCN10A
SCHEMBL20054545 0.88 AAK1 (0.64) AAK1SCN10ATRPV1MLKL
SCHEMBL15116826 0.88 AAK1 (0.64) AAK1SCN10ATRPV1MLKL
SCHEMBL20451069 0.87 PRMT5 (0.44) AAK1PRMT5WDR77
SCHEMBL19184968 0.83 AAK1 (0.46) AAK1PRMT5WDR77SCN10A
SCHEMBL15116825 0.81 AAK1 (0.57) AAK1LIPGSCN10ATRPV1MLKL
SCHEMBL20054463 0.81 AAK1 (0.57) AAK1LIPGSCN10ATRPV1MLKL
SCHEMBL16515607 0.81 SCN10A (0.36) AAK1PRMT5WDR77SCN10A
SCHEMBL20054558 0.80 AAK1 (0.55) AAK1LIPGSCN10ATRPV1MLKL

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
EP-3019196-B1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-06-06 EP disclosed
EP-2802326-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2018-04-18 EP disclosed