SCHEMBL20054411

SCHEMBL20054411

CC(C)(C)OC(=O)NC(c1ncc(-c2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2)[nH]1)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
SSTR3 P32745 1/20 0.38
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
DGAT1 O75907 1/20 0.36
USP30 Q70CQ3 2/20 0.35
HIF1A Q16665 1/20 0.34
GSK3B P49841 1/20 0.34
DYRK1A Q13627 1/20 0.34
HDAC1 Q13547 4/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRB2 P47870 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC2 Q92769 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
SCHEMBL15116600 1.00 AAK1 (0.42) AAK1PRMT5WDR77SSTR3LPL
SCHEMBL15116616 0.90 AAK1 (0.43) AAK1PRMT5WDR77SSTR3LPL
SCHEMBL16358805 0.90 AAK1 (0.44) AAK1PRMT5WDR77SSTR3LPL
SCHEMBL20054513 0.88 PRMT5 (0.38) AAK1PRMT5WDR77SSTR3DGAT1
SCHEMBL15116590 0.88 PRMT5 (0.38) AAK1PRMT5WDR77SSTR3DGAT1
SCHEMBL20054377 0.86 SSTR3 (0.44) AAK1SSTR3GSK3BDYRK1AHDAC1
SCHEMBL15116811 0.86 SSTR3 (0.44) AAK1SSTR3GSK3BDYRK1AHDAC1
SCHEMBL19414754 0.85 SSTR3 (0.46) AAK1SSTR3GSK3BDYRK1AHDAC1
SCHEMBL12117653 0.85 SSTR3 (0.46) AAK1SSTR3GSK3BDYRK1AHDAC1
SCHEMBL15116761 0.82 SSTR3 (0.42) AAK1SSTR3GSK3BDYRK1AHDAC1

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