SCHEMBL790434

SCHEMBL790434

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1NS(=O)(=O)c1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.54
GLO1 Q04760 7/20 0.42
BRAF P15056 1/20 0.41
PIK3CG P48736 2/20 0.40
SLC40A1 Q9NP59 3/20 0.40
SLC22A12 Q96S37 1/20 0.40
PIK3CD O00329 3/20 0.39
PIK3CA P42336 2/20 0.39
PIK3R1 P27986 1/20 0.39
PIK3CB P42338 1/20 0.39
CYP17A1 P05093 1/20 0.39
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38
MTOR P42345 1/20 0.37
NAMPT P43490 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
SCHEMBL790824 0.86 ALPL (0.56) ALPLPIK3CGSLC40A1PIK3CDPIK3CA
SCHEMBL29556839 0.86 ALPL (0.56) ALPLPIK3CGSLC40A1PIK3CDPIK3CA
SCHEMBL29556249 0.84 ALPL (0.52) ALPLGLO1BRAFPIK3CGSLC40A1
SCHEMBL791102 0.84 ALPL (0.52) ALPLGLO1BRAFPIK3CGSLC40A1
SCHEMBL28554047 0.83 ALPL (0.51) ALPLPIK3CGSLC40A1PIK3CDPIK3CA
SCHEMBL29555742 0.82 ALPL (0.58) ALPLBRAFPIK3CGSLC22A12PIK3CD
SCHEMBL30333038 0.82 ALPL (0.58) ALPLBRAFPIK3CGSLC22A12PIK3CD
SCHEMBL15560224 0.82 ALPL (0.58) ALPLBRAFPIK3CGSLC22A12PIK3CD
SCHEMBL791091 0.81 ALPL (0.57) ALPLSLC40A1
SCHEMBL15459551 0.81 ALPL (0.52) ALPLPIK3CGSLC40A1PIK3CDPIK3CA

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