SCHEMBL7422190

SCHEMBL7422190

COc1ccc(S(=O)(=O)N(Cc2ccncc2)C2CCc3ccccc32)cc1OC

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 9/20 0.81
PDE4B Q07343 9/20 0.81
PDE4C Q08493 9/20 0.81
PDE4D Q08499 9/20 0.81
TAS2R14 Q9NYV8 1/20 0.51
ALDH1A1 P00352 3/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
HIF1A Q16665 4/20 0.45
EP300 Q09472 1/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
KDM4E B2RXH2 1/20 0.45
DRD2 P14416 1/20 0.45
DRD3 P35462 1/20 0.45
HTT P42858 1/20 0.44
LMNA P02545 2/20 0.44
HSD17B10 Q99714 2/20 0.44
USP2 O75604 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
EPAS1 Q99814 3/20 0.43

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
SCHEMBL7413548 0.90 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTAS2R14
SCHEMBL7423546 0.86 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTAS2R14
SCHEMBL7418078 0.80 PDE4D (1.00) PDE4APDE4BPDE4CPDE4DTAS2R14
SCHEMBL7422584 0.80 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DTAS2R14
SCHEMBL7418801 0.77 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL7423419 0.77 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DTAS2R14
SCHEMBL7423898 0.76 PDE4D (0.64) PDE4APDE4BPDE4CPDE4DTAS2R14
SCHEMBL7423896 0.74 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTAS2R14
SCHEMBL7421632 0.73 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DSMN1; SMN2
SCHEMBL5518164 0.69 PSEN1 (0.72)

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