SCHEMBL9953892

SCHEMBL9953892

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)Nc1cccc(C)c1F

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.60
SLC22A12 Q96S37 1/20 0.39
PIK3CA P42336 9/20 0.39
PIK3CG P48736 4/20 0.39
PIK3CD O00329 2/20 0.39
PIK3CB P42338 2/20 0.39
PTGES2 Q9H7Z7 1/20 0.38
MTOR P42345 5/20 0.38
EIF2AK4 Q9P2K8 2/20 0.38
PIK3R1 P27986 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PI4KA P42356 2/20 0.37
PIK3C3 Q8NEB9 1/20 0.36

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
SCHEMBL9954425 0.91 ALPL (0.61) ALPLSLC22A12PIK3CAPIK3CGPIK3CD
SCHEMBL10289041 0.90 ALPL (0.62) ALPLSLC22A12PIK3CAPIK3CGPIK3CD
SCHEMBL798611 0.90 ALPL (0.67) ALPLSLC22A12PIK3CAPIK3CGPIK3CD
SCHEMBL9955197 0.87 ALPL (0.66) ALPLSLC22A12PIK3CAPIK3CGPIK3CD
SCHEMBL9953673 0.85 ALPL (0.65) ALPLPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL10288756 0.84 ALPL (0.69) ALPLPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL9954577 0.83 ALPL (0.66) ALPLSLC22A12PIK3CAPIK3CGPIK3CD
SCHEMBL9953720 0.82 ALPL (0.62) ALPLPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL9954198 0.82 ALPL (0.62) ALPLPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL9953749 0.82 ALPL (0.67) ALPLPIK3CAPIK3CGPIK3CDPIK3CB

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-2012174312-A2 BENZIMIDAZOLE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-12-20 WO disclosed
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed