SCHEMBL798453

SCHEMBL798453

COc1ncc(-c2ccc3nc(N)c(C(=O)N4CCC5(CC4)OCCO5)cc3c2)cc1S(=O)(=O)Nc1cccc(C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 10/20 0.43
PI4KA P42356 5/20 0.43
PIK3C3 Q8NEB9 1/20 0.41
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PIK3CA P42336 5/20 0.38
PIK3CD O00329 4/20 0.38
PIK3CB P42338 4/20 0.38
PIK3R1 P27986 3/20 0.38
PIK3C2G O75747 2/20 0.38
HPGD P15428 2/20 0.38
GAA P10253 1/20 0.38
POLB P06746 1/20 0.37
PKLR P30613 1/20 0.37
TP53 P04637 1/20 0.37
HSD17B10 Q99714 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
SCHEMBL807010 0.93 SMN1; SMN2 (0.44) PIK3CGPI4KAPIK3C3RAB9AALDH1A1
SCHEMBL790487 0.93 PIK3CG (0.47) PIK3CGPI4KAPIK3C3RAB9APIK3CA
SCHEMBL789808 0.93 PIK3CG (0.44) PIK3CGPI4KAPIK3C3RAB9AALDH1A1
SCHEMBL807111 0.90 RAB9A (0.46) PIK3CGPI4KARAB9AALDH1A1KDM4E
SCHEMBL807023 0.89 PIK3CG (0.49) PIK3CGPI4KAPIK3C3RAB9APIK3CA
SCHEMBL789741 0.89 PI4KA (0.46) PIK3CGPI4KARAB9AALDH1A1KDM4E
SCHEMBL807247 0.88 PIK3CG (0.48) PIK3CGPI4KAPIK3C3PIK3CAPIK3CD
SCHEMBL806791 0.87 PI4KA (0.43) PIK3CGPI4KAPIK3C3RAB9AALDH1A1
SCHEMBL791568 0.85 PI4KA (0.43) PIK3CGPI4KAPIK3C3RAB9AALDH1A1
SCHEMBL807161 0.84 PIK3C3 (0.49) PIK3CGPI4KAPIK3C3RAB9AALDH1A1

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