SCHEMBL7413548

SCHEMBL7413548

COc1ccc(S(=O)(=O)N(Cc2cccnc2)C2CCc3ccccc32)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 11/20 1.00
PDE4B Q07343 11/20 1.00
PDE4C Q08493 11/20 1.00
PDE4D Q08499 11/20 1.00
TAS2R14 Q9NYV8 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
GAA P10253 1/20 0.44
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 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
SCHEMBL7422190 0.90 PDE4A (0.81) PDE4APDE4BPDE4CPDE4DTAS2R14
SCHEMBL7423546 0.83 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTAS2R14
SCHEMBL7422584 0.77 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DTAS2R14
SCHEMBL7418078 0.77 PDE4D (1.00) PDE4APDE4BPDE4CPDE4DTAS2R14
SCHEMBL7419413 0.77 PDE4A (0.93) PDE4APDE4BPDE4CPDE4DTAS2R14
SCHEMBL7420702 0.76 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DTAS2R14
SCHEMBL7418801 0.75 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DMAPK1
SCHEMBL7425188 0.75 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7423419 0.74 PDE4A (0.68) PDE4APDE4BPDE4CPDE4DTAS2R14
SCHEMBL7423898 0.74 PDE4D (0.64) PDE4APDE4BPDE4CPDE4DTAS2R14

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