SCHEMBL807010

SCHEMBL807010

COc1cccc(NS(=O)(=O)c2cc(-c3ccc4nc(N)c(C(=O)N5CCC6(CC5)OCCO6)cc4c3)cnc2OC)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
PIK3CG P48736 7/20 0.44
PI4KA P42356 5/20 0.44
RAB9A P51151 2/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 2/20 0.42
POLB P06746 1/20 0.42
PIK3C3 Q8NEB9 1/20 0.41
PIK3CD O00329 2/20 0.41
PIK3CA P42336 2/20 0.41
PIK3CB P42338 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
PKLR P30613 1/20 0.38
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PIK3R1 P27986 1/20 0.38

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
SCHEMBL798453 0.93 PIK3CG (0.43) SMN1; SMN2PIK3CGPI4KARAB9AALDH1A1
SCHEMBL790487 0.93 PIK3CG (0.47) PIK3CGPI4KARAB9APIK3C3PIK3CD
SCHEMBL807111 0.93 RAB9A (0.46) PIK3CGPI4KARAB9AALDH1A1KDM4E
SCHEMBL807023 0.91 PIK3CG (0.49) PIK3CGPI4KARAB9APIK3C3PIK3CD
SCHEMBL789808 0.90 PIK3CG (0.44) SMN1; SMN2PIK3CGPI4KARAB9AALDH1A1
SCHEMBL789741 0.87 PI4KA (0.46) PIK3CGPI4KARAB9AALDH1A1KDM4E
SCHEMBL806791 0.87 PI4KA (0.43) SMN1; SMN2PIK3CGPI4KARAB9AALDH1A1
SCHEMBL807247 0.86 PIK3CG (0.48) PIK3CGPI4KAPIK3C3PIK3CDPIK3CA
SCHEMBL791568 0.85 PI4KA (0.43) SMN1; SMN2PIK3CGPI4KARAB9AALDH1A1
SCHEMBL807161 0.84 PIK3C3 (0.49) PIK3CGPI4KARAB9AALDH1A1KDM4E

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