SCHEMBL807072

SCHEMBL807072

O=S(=O)(Nc1cc(Br)cnc1O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.49
GFER P55789 1/20 0.49
APOBEC3G Q9HC16 1/20 0.49
PIK3CD O00329 1/20 0.48
PIK3CA P42336 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.48
ERBB2 P04626 1/20 0.48
HSP90AA1 P07900 1/20 0.48
HSP90AB1 P08238 1/20 0.48
EGFR P00533 1/20 0.47
ENPP3 O14638 1/20 0.46
ENPP1 P22413 1/20 0.46
MMP2 P08253 2/20 0.46
SLC40A1 Q9NP59 2/20 0.46
ALDH1A1 P00352 3/20 0.46
HTT P42858 1/20 0.46
EP300 Q09472 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45

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
SCHEMBL731743 0.82 PIK3CD (0.70) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3125256 0.82 PIK3CG (0.61) PIK3CDPIK3CAPIK3CBPIK3CGSLC40A1
SCHEMBL22230597 0.82 SLC40A1 (0.49) PIK3CDPIK3CAPIK3CBPIK3CGEGFR
SCHEMBL790162 0.80 ALDH1A1 (0.51) PIK3CDPIK3CAPIK3CBPIK3CGSLC40A1
SCHEMBL15651564 0.80 MCL1 (0.47) GAAGFERAPOBEC3GPIK3CDPIK3CA
SCHEMBL16234987 0.79 S100A9 (0.56) GAAGFERAPOBEC3GERBB2HSP90AA1
SCHEMBL358926 0.79 PIK3CG (0.63) PIK3CDPIK3CAPIK3CBPIK3CGSLC40A1
SCHEMBL21512962 0.79 MAPT (0.49) PIK3CDPIK3CAPIK3CBPIK3CGSLC40A1
SCHEMBL29969482 0.79 MAPT (0.49) PIK3CDPIK3CAPIK3CBPIK3CGSLC40A1
SCHEMBL740383 0.77 LMNA (0.53) GAAPIK3CDPIK3CAPIK3CBPIK3CG

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