SCHEMBL9953196

SCHEMBL9953196

COc1ncc(Br)cc1S(=O)(=O)NC1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 4/20 0.46
PIK3C2G O75747 2/20 0.46
PIK3C3 Q8NEB9 2/20 0.45
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
OPRK1 P41145 3/20 0.45
PIK3CA P42336 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
PIK3CD O00329 2/20 0.39
PIK3R1 P27986 2/20 0.39
PIK3CB P42338 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HTT P42858 1/20 0.38
BRD4 O60885 2/20 0.38
BRD3 Q15059 2/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
BRD2 P25440 1/20 0.38
TP53 P04637 1/20 0.38

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
SCHEMBL9954020 0.91 PIK3C3 (0.49) PIK3CGPIK3C2GPIK3C3KDM4EHSD17B10
SCHEMBL14305926 0.89 PIK3C3 (0.55) PIK3C3KDM4EHSD17B10L3MBTL1SMN1; SMN2
SCHEMBL9954686 0.89 PIK3C3 (0.53) PIK3C3KDM4EHSD17B10SMN1; SMN2HTT
SCHEMBL9953075 0.88 PIK3C3 (0.52) PIK3C3KDM4EHSD17B10SMN1; SMN2HTT
SCHEMBL19303684 0.85 PIK3C2G (0.48) PIK3CGPIK3C2GPIK3C3KDM4EHSD17B10
SCHEMBL21760960 0.85 PIK3C2G (0.48) PIK3CGPIK3C2GPIK3C3KDM4EHSD17B10
Pyridine SCHEMBL9955114 0.81 PIK3C3 (0.48) PIK3C3KDM4EHSD17B10SMN1; SMN2HTT
SCHEMBL1701994 0.80 PIK3CD (0.37) PIK3CGPIK3C2GPIK3C3KDM4EHSD17B10
SCHEMBL9953667 0.80 PIK3C3 (0.42) PIK3CGPIK3C3KDM4EHSD17B10PIK3CA
SCHEMBL9953577 0.79 ALPL (0.54) PIK3CGPIK3C2GPIK3C3PIK3CAL3MBTL1

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