SCHEMBL7420702

SCHEMBL7420702

COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2cccnc2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 7/20 1.00
PDE4B Q07343 7/20 1.00
PDE4C Q08493 7/20 1.00
PDE4D Q08499 7/20 1.00
ALDH1A1 P00352 4/20 0.61
MAPK1 P28482 1/20 0.61
RAB9A P51151 1/20 0.60
TAS2R14 Q9NYV8 3/20 0.59
KDM4E B2RXH2 1/20 0.55
LMNA P02545 1/20 0.55
MAPT P10636 1/20 0.55
ALOX12 P18054 1/20 0.55
HSD17B10 Q99714 1/20 0.55
GAA P10253 1/20 0.52
NAMPT P43490 1/20 0.51

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
SCHEMBL7419413 0.96 PDE4A (0.93) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7417394 0.89 PDE4A (0.79) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7421412 0.89 PDE4A (0.80) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7425188 0.85 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7424242 0.83 PDE4A (0.72) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7429183 0.83 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7424509 0.83 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7422978 0.82 TAS2R14 (0.69) PDE4APDE4BPDE4CPDE4DTAS2R14
SCHEMBL7418318 0.82 PDE4A (0.69) PDE4APDE4BPDE4CPDE4DTAS2R14
SCHEMBL7423718 0.82 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DALDH1A1

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-1996036595-A1 3,4-DISUBSTITUTED-PHENYLSULPHONAMIDES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-21 WO claimed
WO-1996036595-A1 3,4-DISUBSTITUTED-PHENYLSULPHONAMIDES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-21 WO disclosed