SCHEMBL789433

SCHEMBL789433

CC(C)Oc1ncc(Br)cc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.48
CCR4 P51679 1/20 0.45
PIK3CA P42336 4/20 0.43
PIK3CD O00329 3/20 0.43
PIK3CB P42338 2/20 0.43
PIK3R1 P27986 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
SLC40A1 Q9NP59 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MTOR P42345 2/20 0.42
GAA P10253 2/20 0.42
IRAK4 Q9NWZ3 1/20 0.42
METAP2 P50579 2/20 0.41
HTT P42858 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL358926 0.86 PIK3CG (0.63) PIK3CGCCR4PIK3CAPIK3CDPIK3CB
SCHEMBL740383 0.84 LMNA (0.53) PIK3CGCCR4PIK3CAPIK3CDPIK3CB
SCHEMBL3798013 0.81 PIK3CD (0.43) PIK3CGPIK3CAPIK3CDPIK3CBALDH1A1
SCHEMBL3125256 0.79 PIK3CG (0.61) PIK3CGPIK3CAPIK3CDPIK3CBALDH1A1
SCHEMBL789780 0.79 PIK3CA (0.51) PIK3CGCCR4PIK3CAPIK3CDPIK3CB
SCHEMBL29970032 0.78 CACNA1B (0.51) PIK3CGCCR4PIK3CAPIK3CDPIK3CB
SCHEMBL791429 0.78 ALPL (0.47) PIK3CGPIK3CAPIK3CDPIK3CBPIK3R1
SCHEMBL29969654 0.77 CACNA1B (0.47) PIK3CGCCR4PIK3CAPIK3CDPIK3CB
SCHEMBL26130327 0.77 CACNA1B (0.47) PIK3CGCCR4PIK3CAPIK3CDPIK3CB
SCHEMBL790162 0.76 ALDH1A1 (0.51) PIK3CGCCR4PIK3CAPIK3CDPIK3CB

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