SCHEMBL7470631

SCHEMBL7470631

COc1ccc(S(=O)(=O)NC2CCCc3ccccc32)cc1OC

nearest known ligand 0.87

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.87
PDE4B Q07343 5/20 0.87
PDE4C Q08493 5/20 0.87
PDE4D Q08499 5/20 0.87
HTT P42858 2/20 0.69
ALDH1A1 P00352 1/20 0.69
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
CYP1A2 P05177 1/20 0.60
SMN1; SMN2 Q16637 2/20 0.58
L3MBTL1 Q9Y468 2/20 0.58
LMNA P02545 1/20 0.58
MAPK1 P28482 1/20 0.58
STAT3 P40763 1/20 0.58
POLB P06746 1/20 0.58
NPC1 O15118 1/20 0.57
KDM4E B2RXH2 1/20 0.56
HPGD P15428 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL13350317 0.93 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL7418696 0.93 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL7425456 0.93 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL7424183 0.81 PDE4A (0.78) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL30305355 0.80 ALDH1A1 (0.75) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL29019314 0.80 ALDH1A1 (0.75) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL7423655 0.80 PDE4A (0.77) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7419331 0.80 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL4788494 0.80 CYP1A2 (0.78) PDE4APDE4BPDE4CPDE4DHTT
SCHEMBL31005217 0.80 CYP1A2 (0.78) PDE4APDE4BPDE4CPDE4DHTT

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