SCHEMBL807111

SCHEMBL807111

COc1ccc(NS(=O)(=O)c2cc(-c3ccc4nc(N)c(C(=O)N5CCC6(CC5)OCCO6)cc4c3)cnc2OC)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.46
HPGD P15428 2/20 0.45
GAA P10253 1/20 0.45
PIK3CG P48736 4/20 0.44
PI4KA P42356 3/20 0.44
ALDH1A1 P00352 6/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 1/20 0.43
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
NPC1 O15118 1/20 0.39
USP2 O75604 1/20 0.39
UBE2N P61088 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
CES2 O00748 1/20 0.37

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
SCHEMBL789808 0.94 PIK3CG (0.44) RAB9AHPGDGAAPIK3CGPI4KA
SCHEMBL807023 0.94 PIK3CG (0.49) RAB9APIK3CGPI4KAPIK3CDPIK3R1
SCHEMBL807010 0.93 SMN1; SMN2 (0.44) RAB9AHPGDGAAPIK3CGPI4KA
SCHEMBL798453 0.90 PIK3CG (0.43) RAB9AHPGDGAAPIK3CGPI4KA
SCHEMBL790487 0.90 PIK3CG (0.47) RAB9APIK3CGPI4KAPIK3CDPIK3R1
SCHEMBL806791 0.89 PI4KA (0.43) RAB9AHPGDGAAPIK3CGPI4KA
SCHEMBL789741 0.88 PI4KA (0.46) RAB9AHPGDGAAPIK3CGPI4KA
SCHEMBL791568 0.87 PI4KA (0.43) RAB9AHPGDGAAPIK3CGPI4KA
SCHEMBL807161 0.86 PIK3C3 (0.49) RAB9AHPGDGAAPIK3CGPI4KA
SCHEMBL790545 0.85 PIK3C3 (0.44) RAB9AHPGDGAAPIK3CGPI4KA

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