SCHEMBL7418335

SCHEMBL7418335

COc1ccc(S(=O)(=O)NC2CCc3cc(Br)ccc32)cc1OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 4/20 0.76
PDE4B Q07343 4/20 0.76
PDE4C Q08493 4/20 0.76
PDE4D Q08499 4/20 0.76
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
HDAC8 Q9BY41 1/20 0.49
POLB P06746 1/20 0.48
HSP90AA1 P07900 1/20 0.46
HTT P42858 3/20 0.45
GAA P10253 2/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 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
SCHEMBL7419331 0.88 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL7424183 0.87 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL7421227 0.86 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL22500809 0.86 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL7425456 0.85 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL13350317 0.85 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL7418696 0.85 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL24437313 0.82 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL30985365 0.82 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DCA1
SCHEMBL7420597 0.82 PDE4B (0.69) 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