SCHEMBL7420983

SCHEMBL7420983

COc1ccc2c(c1)C(NS(=O)(=O)c1ccc(OC)c(OC)c1)CC2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 1.00
PDE4B Q07343 4/20 1.00
PDE4C Q08493 4/20 1.00
PDE4D Q08499 4/20 1.00
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
KCNA5 P22460 2/20 0.50
HDAC8 Q9BY41 1/20 0.50
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
KDM1A O60341 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
PDE10A Q9Y233 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL7419331 0.92 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL7424183 0.88 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL13350317 0.86 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL7425456 0.86 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL7418696 0.86 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL7421227 0.81 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL7418335 0.81 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL7423655 0.80 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL7470631 0.79 PDE4A (0.87) PDE4APDE4BPDE4CPDE4DKMT2A
SCHEMBL7477667 0.79 PDE4A (0.65) PDE4APDE4BPDE4CPDE4DCA1

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-1996036596-A1 3,4-DISUBSTITUTED-PHENYLSULPHONAMIDES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-21 WO claimed
WO-1996036596-A1 3,4-DISUBSTITUTED-PHENYLSULPHONAMIDES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-21 WO disclosed