SCHEMBL7358967

SCHEMBL7358967

COc1ccc(S(=O)(=O)n2c(C)cc3ncccc3c2=O)cc1OC

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.75
PDE4B Q07343 5/20 0.75
PDE4C Q08493 5/20 0.75
PDE4D Q08499 5/20 0.75
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PTGDR2 Q9Y5Y4 3/20 0.46
MAPK1 P28482 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH3A1 P30838 3/20 0.43
GPBAR1 Q8TDU6 1/20 0.42
TSHR P16473 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
SCHEMBL8602420 0.86 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7358727 0.78 PDE4A (0.67) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7360978 0.70 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7366201 0.70 PDE4A (0.62) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7360296 0.70 PDE4A (0.57) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7392643 0.68 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL13633829 0.68 GAA (0.63) ALDH1A1HSD17B10MAPK1MEN1KMT2A
SCHEMBL8599875 0.67 POLB (0.65) ALDH1A1MEN1KMT2AALDH3A1TSHR
SCHEMBL8602385 0.67 PDE4A (0.63) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL7359664 0.66 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DKDM4E

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
US-5728712-A 3,4-disubstituted-phenylsulphonamides and their therapeutic use CHIROSCIENCE LIMITED (GB) 1998-03-17 US disclosed
WO-1996036611-A1 3,4-DISUBSTITUTED-PHENYLSULPHONAMIDES AND THEIR THERAPEUTIC USE CHIROSCIENCE LIMITED (GB) 1996-11-21 WO disclosed