SCHEMBL7208549

SCHEMBL7208549

C=CCN(C)S(=O)(=O)c1ccc(OCC)c(OCC)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
ALDH1A1 P00352 5/20 0.41
GAA P10253 3/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 2/20 0.39
HIF1A Q16665 1/20 0.38
EPAS1 Q99814 1/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
OGT O15294 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL7205562 0.83 TSHR (0.51) HTTALDH1A1GAATSHRHIF1A
SCHEMBL7209464 0.81 HTT (0.55) HTTALDH1A1GAATSHRPKM
SCHEMBL7204377 0.78 HTT (0.47) HTTALDH1A1GAAHPGDTSHR
SCHEMBL14601548 0.76 HTT (0.75) HTTALDH1A1TSHRMAPT
SCHEMBL12646349 0.73 CNR2 (0.46) HTTALDH1A1HPGDCYP2C19
SCHEMBL12169302 0.72 C5AR1 (0.62) GAAMAPT
SCHEMBL4071717 0.71 C5AR1 (0.45) HTTALDH1A1GAATSHRPKM
SCHEMBL19563498 0.71 SIGMAR1 (0.49) HTTALDH1A1TSHRKMT2AMEN1
SCHEMBL28721493 0.71 C5AR1 (0.51) ALDH1A1KMT2A
SCHEMBL2564265 0.71 ALDH1A1 (0.47) HTTALDH1A1GAAHPGDTSHR

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 8 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
EP-1045690-A1 BENZENESULFONAMIDE INHIBITORS OF PDE-IV AND THEIR THERAPEUTIC USE WARNER-LAMBERT COMPANY (US) 2000-10-25 EP disclosed
WO-1999026616-A1 BENZENESULFONAMIDE INHIBITORS OF PDE-IV AND THEIR THERAPEUTIC USE WARNER-LAMBERT COMPANY (US) 1999-06-03 WO disclosed