SCHEMBL7413611

SCHEMBL7413611

COC(=O)c1cccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(OC)c(OC)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 11/20 0.68
PDE4A P27815 3/20 0.62
PDE4B Q07343 3/20 0.62
PDE4C Q08493 3/20 0.62
PDE4D Q08499 3/20 0.62
MEP1B Q16820 2/20 0.57
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LMNA P02545 1/20 0.55
TP53 P04637 1/20 0.52
PTGES O14684 1/20 0.52
TAS2R8 Q9NYW2 1/20 0.52
CXCR3 P49682 1/20 0.52
ADAM10 O14672 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
MMP13 P45452 1/20 0.52
ADAM17 P78536 1/20 0.52
MEP1A Q16819 1/20 0.52

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
SCHEMBL7420151 0.91 TAS2R14 (0.78) TAS2R14PDE4APDE4BPDE4CPDE4D
SCHEMBL7416090 0.91 TAS2R14 (0.74) TAS2R14PDE4APDE4BPDE4CPDE4D
SCHEMBL7417394 0.86 PDE4A (0.79) TAS2R14PDE4APDE4BPDE4CPDE4D
SCHEMBL7428277 0.84 TAS2R14 (0.67) TAS2R14PDE4APDE4BPDE4CPDE4D
SCHEMBL7422229 0.84 TAS2R14 (0.89) TAS2R14PDE4APDE4BPDE4CPDE4D
SCHEMBL7423414 0.82 PDE4A (0.67) TAS2R14PDE4APDE4BPDE4CPDE4D
SCHEMBL7422978 0.82 TAS2R14 (0.69) TAS2R14PDE4APDE4BPDE4CPDE4D
SCHEMBL1279106 0.81 TAS2R14 (1.00) TAS2R14PTGESTAS2R8CXCR3
SCHEMBL7419343 0.81 HSD11B1 (0.65) TAS2R14PDE4APDE4BPDE4CPDE4D
SCHEMBL3559430 0.80 TAS2R14 (0.56) TAS2R14MAPTTP53PTGESTAS2R8

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