SCHEMBL9954497

SCHEMBL9954497

COc1ncc(Br)cc1S(=O)(=O)NC1CCc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.54
PDE4B Q07343 4/20 0.54
PDE4C Q08493 4/20 0.54
PDE4D Q08499 4/20 0.54
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ALOX5AP P20292 2/20 0.44
FEN1 P39748 2/20 0.44
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
EGFR P00533 1/20 0.42
SLC26A4 O43511 1/20 0.41
HPGDS O60760 1/20 0.41
BRS3 P32247 1/20 0.40

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
SCHEMBL9953667 0.81 PIK3C3 (0.42) CA1CA2ALOX5APFEN1MEN1
SCHEMBL9954020 0.78 PIK3C3 (0.49) ALDH1A1SMN1; SMN2MEN1KMT2AHTT
SCHEMBL14305926 0.76 PIK3C3 (0.55) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL9954686 0.76 PIK3C3 (0.53) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL9953075 0.75 PIK3C3 (0.52) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL15915670 0.74 CA1 (0.60) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL15915716 0.74 CA1 (0.60) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL21760960 0.73 PIK3C2G (0.48) ALOX5APFEN1SMN1; SMN2MEN1KMT2A
SCHEMBL9953196 0.73 PIK3CG (0.46) SMN1; SMN2MEN1KMT2AHTTPOLB
SCHEMBL19303684 0.73 PIK3C2G (0.48) ALOX5APFEN1SMN1; SMN2MEN1KMT2A

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