SCHEMBL807318

SCHEMBL807318

C/C=C1\OB(c2cnc(NC)c(NS(=O)(=O)c3ccccc3)c2)OC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC40A1 Q9NP59 8/20 0.38
PIK3CG P48736 8/20 0.36
PIK3CD O00329 4/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 2/20 0.36
BRD4 O60885 1/20 0.34
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
PI4KA P42356 1/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
G6PD P11413 1/20 0.33
NFKBIA P25963 1/20 0.33
AGTR1 P30556 1/20 0.33
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
GLO1 Q04760 1/20 0.33
PAX8 Q06710 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL791191 0.84 PDGFRB (0.44) SLC40A1PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL13268020 0.73 PIK3CD (0.51) PIK3CGPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL807174 0.73 SLC40A1 (0.36) SLC40A1PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL790432 0.73 PIK3CA (0.45) SLC40A1PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL9955288 0.71 PIK3CG (0.52) SLC40A1PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL3115744 0.70 PIK3CD (0.57) PIK3CGPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL29555684 0.70 PIK3CD (0.57) PIK3CGPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL790162 0.69 ALDH1A1 (0.51) SLC40A1PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL790824 0.68 ALPL (0.56) SLC40A1PIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL29556839 0.68 ALPL (0.56) SLC40A1PIK3CGPIK3CDPIK3CAPIK3CB

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