SCHEMBL789808

SCHEMBL789808

COc1ncc(-c2ccc3nc(N)c(C(=O)N4CCC5(CC4)OCCO5)cc3c2)cc1S(=O)(=O)Nc1ccc(C)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 6/20 0.44
PI4KA P42356 5/20 0.44
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 3/20 0.40
GLA P06280 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 1/20 0.39
TLR4 O00206 1/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.39
POLB P06746 2/20 0.39
PIK3CA P42336 6/20 0.38
PIK3CD O00329 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3C2G O75747 1/20 0.37
MTOR P42345 3/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
LMNA P02545 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
SCHEMBL807111 0.94 RAB9A (0.46) PIK3CGPI4KAALDH1A1KDM4ERAB9A
SCHEMBL807023 0.94 PIK3CG (0.49) PIK3CGPI4KARAB9APIK3CAPIK3CD
SCHEMBL798453 0.93 PIK3CG (0.43) PIK3CGPI4KAALDH1A1KDM4EGLA
SCHEMBL807010 0.90 SMN1; SMN2 (0.44) PIK3CGPI4KAALDH1A1KDM4EHTT
SCHEMBL790487 0.90 PIK3CG (0.47) PIK3CGPI4KARAB9APIK3CAPIK3CD
SCHEMBL789741 0.89 PI4KA (0.46) PIK3CGPI4KAALDH1A1KDM4ERAB9A
SCHEMBL806791 0.89 PI4KA (0.43) PIK3CGPI4KAALDH1A1KDM4EGLA
SCHEMBL807247 0.87 PIK3CG (0.48) PIK3CGPI4KAPIK3CAPIK3CDPIK3CB
SCHEMBL791568 0.87 PI4KA (0.43) PIK3CGPI4KAALDH1A1KDM4EGLA
SCHEMBL807161 0.86 PIK3C3 (0.49) PIK3CGPI4KAALDH1A1KDM4ERAB9A

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