SCHEMBL7420943

SCHEMBL7420943

CCCN(Cc1ccc([N+](C)(C)C=O)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.62
PDE4B Q07343 6/20 0.62
PDE4C Q08493 6/20 0.62
PDE4D Q08499 6/20 0.62
L3MBTL1 Q9Y468 1/20 0.50
HIF1A Q16665 4/20 0.48
EPAS1 Q99814 4/20 0.48
TAS2R14 Q9NYV8 3/20 0.47
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL7421609 0.82 PDE4D (0.63) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL7418172 0.82 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL7418683 0.81 PDE4A (0.80) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL7418883 0.79 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DTAS2R14
SCHEMBL7206100 0.79 L3MBTL1 (0.76) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL7424700 0.74 PDE4D (0.66) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL7417394 0.72 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DTAS2R14
SCHEMBL7419350 0.72 PDE4D (0.67) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL4177072 0.71 ALDH1A1 (0.68) PDE4APDE4BPDE4CPDE4DL3MBTL1
SCHEMBL7204676 0.70 ALDH1A1 (0.77) PDE4APDE4BPDE4CPDE4DL3MBTL1

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-1996036595-A1 3,4-DISUBSTITUTED-PHENYLSULPHONAMIDES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-21 WO claimed
WO-1996036595-A1 3,4-DISUBSTITUTED-PHENYLSULPHONAMIDES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-21 WO disclosed