SCHEMBL9953577

SCHEMBL9953577

COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.54
PIK3CG P48736 3/20 0.42
PIK3C2G O75747 2/20 0.42
PIK3C3 Q8NEB9 2/20 0.41
PIK3CA P42336 2/20 0.38
AAK1 Q2M2I8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PIK3CD O00329 1/20 0.35
PIK3R1 P27986 1/20 0.35
PIK3CB P42338 1/20 0.35
BRD4 O60885 3/20 0.34
BRD3 Q15059 3/20 0.34
DGAT1 O75907 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
HTT P42858 1/20 0.34
TSHR P16473 1/20 0.34
BRD2 P25440 1/20 0.34

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
SCHEMBL9953730 0.94 ALPL (0.57) ALPLPIK3CGPIK3C2GPIK3C3AAK1
SCHEMBL9954766 0.92 ALPL (0.56) ALPLPIK3CGPIK3C2GPIK3C3PIK3CA
SCHEMBL9953817 0.92 ALPL (0.56) ALPLPIK3C3BRD4BRD3SMN1; SMN2
SCHEMBL9954287 0.91 ALPL (0.55) ALPLPIK3C3BRD4BRD3SMN1; SMN2
SCHEMBL21760716 0.89 ALPL (0.53) ALPLPIK3CGPIK3C2GPIK3C3PIK3CA
SCHEMBL19303685 0.89 ALPL (0.53) ALPLPIK3CGPIK3C2GPIK3C3PIK3CA
SCHEMBL14247601 0.85 PIK3CD (0.40) ALPLPIK3CGPIK3C3AAK1PIK3CD
SCHEMBL23758152 0.84 ALPL (0.49) ALPLPIK3CGPIK3C2GPIK3C3AAK1
SCHEMBL9953472 0.81 ALPL (0.62) ALPLPIK3CGPIK3C3PIK3CAAAK1
SCHEMBL17394044 0.81 L3MBTL1 (0.52) L3MBTL1BRD4BRD3SMN1; SMN2ALDH1A1

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