SCHEMBL18171877

SCHEMBL18171877

CN(Cc1ccccc1)c1cnc2cc(B3OC(C)(C)C(C)(C)O3)ccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 1/20 0.39
ERAP1 Q9NZ08 1/20 0.38
LIPG Q9Y5X9 5/20 0.38
LPL P06858 4/20 0.38
PIK3CA P42336 1/20 0.38
MAOB P27338 2/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
GAA P10253 1/20 0.35
PDE5A O76074 1/20 0.34
PIK3CD O00329 1/20 0.34
LMNA P02545 1/20 0.34
PIK3R1 P27986 1/20 0.34
HTT P42858 1/20 0.34
HIF1A Q16665 1/20 0.34
SNCA P37840 1/20 0.34
EGFR P00533 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
SCHEMBL18171890 0.80 DGAT1 (0.34) DGAT1LIPGLPLHTT
SCHEMBL18171863 0.79 LPL (0.37) DGAT1LIPGLPLIRAK4SNCA
SCHEMBL29414473 0.77 LPL (0.38) DGAT1LIPGLPLPIK3CAIRAK4
SCHEMBL1818313 0.77 LPL (0.38) DGAT1LIPGLPLPIK3CAIRAK4
SCHEMBL18171886 0.76 PDGFRB (0.54) DGAT1SMN1; SMN2KMT2ALIPGLPL
SCHEMBL18171876 0.76 SMN1; SMN2 (0.54) SMN1; SMN2MAPTTSHRKMT2AERAP1
SCHEMBL780459 0.76 MAOB (0.49) SMN1; SMN2MAPTTSHRKMT2AERAP1
SCHEMBL31503579 0.75 TLR9 (0.52) DGAT1SMN1; SMN2MAPTLIPGLPL
SCHEMBL28597119 0.74 LPL (0.38) LIPGLPLIRAK4SNCAEGFR
SCHEMBL5801456 0.73 LIPG (0.54) DGAT1TSHRLIPGLPL

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-2016170163-A1 SUBSTITUTED QUINOXALINES AND BENZOTRIAZINE P70S6 KINASE INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2016-10-27 WO disclosed