SCHEMBL807174

SCHEMBL807174

C=C1OB(c2cnc(O)c(NS(=O)(=O)c3ccccc3)c2)OC1(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 2/20 0.36
GAA P10253 5/20 0.36
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
GFER P55789 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
PIK3CG P48736 5/20 0.36
HSD17B10 Q99714 3/20 0.36
PIK3CD O00329 2/20 0.36
ALOX15 P16050 2/20 0.36
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
ERBB2 P04626 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
TSHR P16473 1/20 0.35
CYTH2 Q99418 2/20 0.35

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
SCHEMBL13268020 0.88 PIK3CD (0.51) PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL13180233 0.80 PIK3CB (0.43) GAAALDH1A1PIK3CGMEN1KMT2A
SCHEMBL12724541 0.78 PIK3CD (0.48) PIK3CDPIK3CA
SCHEMBL12724454 0.77 LMNA (0.42) SLC40A1ALDH1A1PIK3CGPIK3CDMEN1
SCHEMBL8414791 0.74 FBP1 (0.42) SLC40A1PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL807318 0.73 SLC40A1 (0.38) SLC40A1PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL13034959 0.73 PIK3C3 (0.35) PIK3CA
SCHEMBL9955288 0.73 PIK3CG (0.52) SLC40A1ALDH1A1PIK3CGPIK3CDPIK3CA
SCHEMBL3115744 0.72 PIK3CD (0.57) PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL29555684 0.72 PIK3CD (0.57) PIK3CGPIK3CDPIK3CAPIK3CB

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-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed