SCHEMBL791429

SCHEMBL791429

CC(C)Oc1ncc(B2OC(C)(C)C(C)(C)O2)cc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.47
PIK3CG P48736 4/20 0.42
PIK3CA P42336 4/20 0.41
PIK3CD O00329 4/20 0.41
PIK3CB P42338 2/20 0.41
PIK3R1 P27986 1/20 0.41
PDGFRB P09619 1/20 0.40
KDR P35968 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.38
MTOR P42345 2/20 0.38
NAMPT P43490 1/20 0.37
SLC40A1 Q9NP59 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 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
SCHEMBL29556839 0.88 ALPL (0.56) ALPLPIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL790824 0.88 ALPL (0.56) ALPLPIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL789981 0.86 ALPL (0.48) ALPLPIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL17946272 0.85 ALPL (0.42) ALPLPIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL9955288 0.82 PIK3CG (0.52) ALPLPIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL790432 0.82 PIK3CA (0.45) ALPLPIK3CGPIK3CAPIK3CDPIK3CB
SCHEMBL3115744 0.81 PIK3CD (0.57) PIK3CGPIK3CAPIK3CDPIK3CBPIK3R1
SCHEMBL29555684 0.81 PIK3CD (0.57) PIK3CGPIK3CAPIK3CDPIK3CBPIK3R1
SCHEMBL22447743 0.81 ALPL (0.45) ALPLPIK3CAPIK3CDPIK3CBPIK3R1
SCHEMBL791191 0.81 PDGFRB (0.44) ALPLPIK3CGPIK3CAPIK3CDPIK3CB

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 3 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-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