SCHEMBL7424640

SCHEMBL7424640

COc1ccc(S(=O)(=O)N(CCCC#N)CCc2ccccc2)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 10/20 0.64
PDE4A P27815 9/20 0.64
PDE4B Q07343 9/20 0.64
PDE4C Q08493 9/20 0.64
ALDH1A1 P00352 2/20 0.58
GAA P10253 1/20 0.58
TP53 P04637 1/20 0.56
MAPT P10636 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 1/20 0.55
BMP1 P13497 2/20 0.49
TAS2R14 Q9NYV8 1/20 0.48

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
SCHEMBL7419475 0.85 PDE4A (0.59) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL7414364 0.83 PDE4A (0.70) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL7419350 0.83 PDE4D (0.67) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL7417933 0.81 PDE4A (0.62) PDE4DPDE4APDE4BPDE4CMAPT
SCHEMBL7429183 0.81 PDE4A (0.71) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL7418387 0.80 PDE4A (0.66) PDE4DPDE4APDE4BPDE4CSMN1; SMN2
SCHEMBL7415074 0.79 PDE4A (0.68) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL7420585 0.79 PDE4A (0.52) PDE4DPDE4APDE4BPDE4CTP53
SCHEMBL7204752 0.79 PDE4D (0.61) PDE4DPDE4APDE4BPDE4CALDH1A1
SCHEMBL7423605 0.79 PDE4A (0.67) PDE4DPDE4APDE4BPDE4CALDH1A1

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