SCHEMBL9953667

SCHEMBL9953667

COc1ncc(Br)cc1S(=O)(=O)NC1Cc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 2/20 0.42
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
ALOX5AP P20292 1/20 0.40
FEN1 P39748 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
SHMT2 P34897 1/20 0.38
PIK3CD O00329 1/20 0.38
PIK3R1 P27986 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
POLB P06746 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
SCHEMBL9954020 0.85 PIK3C3 (0.49) PIK3C3KDM4EHSD17B10KMT2AMEN1
SCHEMBL14305926 0.83 PIK3C3 (0.55) PIK3C3KDM4EHSD17B10KMT2AMEN1
SCHEMBL9954686 0.83 PIK3C3 (0.53) PIK3C3KDM4EHSD17B10KMT2AMEN1
SCHEMBL9954276 0.81 ALPL (0.51) PIK3C3CA1CA2ALOX5APFEN1
SCHEMBL9953075 0.81 PIK3C3 (0.52) PIK3C3KDM4EHSD17B10KMT2AMEN1
SCHEMBL9954497 0.81 PDE4A (0.54) CA1CA2ALOX5APFEN1KMT2A
SCHEMBL21760960 0.80 PIK3C2G (0.48) PIK3C3ALOX5APFEN1KDM4EHSD17B10
SCHEMBL19303684 0.80 PIK3C2G (0.48) PIK3C3ALOX5APFEN1KDM4EHSD17B10
SCHEMBL9953196 0.80 PIK3CG (0.46) PIK3C3KDM4EHSD17B10KMT2AMEN1
Pyridine SCHEMBL9955114 0.77 PIK3C3 (0.48) PIK3C3KDM4EHSD17B10KMT2AMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed