SCHEMBL7423896

SCHEMBL7423896

COc1ccc(S(=O)(=O)N(CCC#N)C2CCCc3ccccc32)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 1.00
PDE4B Q07343 10/20 1.00
PDE4C Q08493 10/20 1.00
PDE4D Q08499 10/20 1.00
TAS2R14 Q9NYV8 1/20 0.49
LMNA P02545 1/20 0.47
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.40
PER2 O15055 1/20 0.39
CRY1 Q16526 1/20 0.39
CRY2 Q49AN0 1/20 0.39
HIF1A Q16665 1/20 0.39
EPAS1 Q99814 1/20 0.39

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
SCHEMBL7418078 0.94 PDE4D (1.00) PDE4APDE4BPDE4CPDE4DTAS2R14
SCHEMBL7422584 0.79 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DTAS2R14
SCHEMBL7423419 0.76 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DTAS2R14
SCHEMBL7421632 0.75 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DLMNA
SCHEMBL7422190 0.74 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DTAS2R14
SCHEMBL7423546 0.74 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTAS2R14
SCHEMBL7423898 0.73 PDE4D (0.64) PDE4APDE4BPDE4CPDE4DTAS2R14
SCHEMBL7418801 0.72 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DDRD2
SCHEMBL7413548 0.72 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTAS2R14
SCHEMBL7204403 0.71 PDE4D (0.60) PDE4APDE4BPDE4CPDE4DLMNA

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