SCHEMBL7206772

SCHEMBL7206772

C/C=C/CN(C)S(=O)(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.50
MAPK1 P28482 2/20 0.50
POLB P06746 1/20 0.50
PDE4D Q08499 3/20 0.48
MAPT P10636 4/20 0.46
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 7/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MEN1 O00255 2/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43

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
SCHEMBL7206773 1.00 TSHR (0.50) TSHRMAPK1POLBPDE4DMAPT
SCHEMBL4180299 0.87 PDE4D (0.48) TSHRMAPK1POLBPDE4DMAPT
SCHEMBL4180302 0.87 PDE4D (0.48) TSHRMAPK1POLBPDE4DMAPT
SCHEMBL7205562 0.84 TSHR (0.51) TSHRMAPK1POLBPDE4DMAPT
SCHEMBL4176914 0.82 PDE4D (0.61) TSHRMAPK1POLBPDE4DMAPT
SCHEMBL7204680 0.80 TSHR (0.58) TSHRMAPK1POLBPDE4DMAPT
SCHEMBL7205749 0.78 PDE4D (0.57) TSHRMAPK1POLBPDE4DMAPT
SCHEMBL4183508 0.76 KMT2A (0.53) TSHRMAPK1POLBPDE4DMAPT
SCHEMBL7204252 0.76 MAPT (0.72) TSHRMAPK1POLBMAPTALDH1A1
SCHEMBL7207494 0.75 TSHR (0.51) TSHRMAPK1POLBPDE4DMAPT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1045690-B1 BENZENESULFONAMIDE INHIBITORS OF PDE-IV AND THEIR THERAPEUTIC USE WARNER LAMBERT CO (US) 2003-04-23 EP claimed
US-6162830-A Benzenesulfonamide inhibitors of PDE-IV and their therapeutic use WARNER-LAMBERT COMPANY (US) 2000-12-19 US claimed
EP-1045690-A1 BENZENESULFONAMIDE INHIBITORS OF PDE-IV AND THEIR THERAPEUTIC USE WARNER-LAMBERT COMPANY (US) 2000-10-25 EP claimed
WO-1999026616-A1 BENZENESULFONAMIDE INHIBITORS OF PDE-IV AND THEIR THERAPEUTIC USE WARNER-LAMBERT COMPANY (US) 1999-06-03 WO claimed
EP-1045690-B1 BENZENESULFONAMIDE INHIBITORS OF PDE-IV AND THEIR THERAPEUTIC USE WARNER LAMBERT CO (US) 2003-04-23 EP disclosed
US-6162830-A Benzenesulfonamide inhibitors of PDE-IV and their therapeutic use WARNER-LAMBERT COMPANY (US) 2000-12-19 US disclosed