SCHEMBL727637

SCHEMBL727637

CN(C)NS(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.54
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA9 Q16790 1/20 0.52
PRSS1 P07477 3/20 0.51
F2 P00734 2/20 0.51
PRSS2 P07478 2/20 0.51
PRSS3 P35030 2/20 0.51
EDNRA P25101 3/20 0.51
EDNRB P24530 2/20 0.51
SCN1A P35498 2/20 0.48
SCN2A Q99250 2/20 0.48
SCN3A Q9NY46 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 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
SCHEMBL28781300 0.81 EDNRA (0.40) HCRTR1CA1CA2CA9PRSS1
SCHEMBL3698223 0.79 HCRTR1 (0.58) HCRTR1CA1CA2CA9PRSS1
SCHEMBL6580093 0.79 CA1 (0.61) HCRTR1CA1CA2CA9PRSS1
SCHEMBL2371611 0.78 HCRTR1 (0.50) HCRTR1CA1CA2CA9PRSS1
SCHEMBL3577992 0.76 NSD2 (0.65) HCRTR1CA1CA2CA9PRSS1
SCHEMBL6756540 0.76 HCRTR1 (0.45) HCRTR1CA1CA2CA9PRSS1
SCHEMBL10994471 0.76 CA1 (0.57) HCRTR1CA1CA2CA9PRSS1
SCHEMBL3248145 0.76 CA1 (0.57) HCRTR1CA1CA2CA9PRSS1
SCHEMBL8224014 0.76 F2 (0.60) HCRTR1CA1CA2CA9PRSS1
SCHEMBL18537467 0.76 CA1 (0.57) HCRTR1CA1CA2CA9PRSS1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4833466-B2 2011-12-07 JP claimed
EP-1198233-B1 SULFONAMIDE AND SULFAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-08-16 EP claimed
EP-1198233-A4 SULFONAMIDE AND SULFAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2002-07-24 EP claimed
EP-1198233-A1 SULFONAMIDE AND SULFAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2002-04-24 EP claimed
WO-2000076519-A1 SULFONAMIDE AND SULFAMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-12-21 WO claimed
EP-0715721-B1 PHOSPHATE ASSAY MEDICAL RES COUNCIL (GB) 1999-11-10 EP claimed
CN-101679318-A Development of Molecular Imaging Probes for Carbonic Anhydrase-IX Using Linkage Chemistry SIEMENS MEDICAL SOLUTIONS 2010-03-24 CN disclosed
EP-2121042-A2 COMPOUNDS AND METHODS FOR DETECTION OF CELLS Aposense Ltd. (IL) 2009-11-25 EP disclosed
WO-2008081447-A2 COMPOUNDS AND METHODS FOR DETECTION OF CELLS APOSENSE LTD. (IL) 2008-07-10 WO disclosed
EP-1846380-A1 CARDIOVASCULAR COMPOUNDS COMPRISING HETEROCYCLIC NITRIC OXIDE DONOR GROUP COMPOSITIONS AND METHODS OF USE Nitromed, Inc. (US) 2007-10-24 EP disclosed
WO-2006078995-A1 CARDIOVASCULAR COMPOUNDS COMPRISING HETEROCYCLIC NITRIC OXIDE DONOR GROUP COMPOSITIONS AND METHODS OF USE NITROMED, INC. (US) 2006-07-27 WO disclosed
EP-1404667-A1 PIPERIDINE DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2004-04-07 EP disclosed
WO-2003004487-A1 PIPERIDINE DERIVATIVES USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2003-01-16 WO disclosed
EP-0606925-B1 A method for derivatizing a 1-amino-1-deoxyoligosaccharide GENZYME CORP (US) 1998-10-07 EP disclosed
EP-0606925-A2 A method for derivatizing a 1-amino-1-deoxyoligosaccharide Genzyme Corporation (US) 1994-07-20 EP disclosed
US-5324828-A Fluorescent compound GENZYME CORPORATION (US) 1994-06-28 US disclosed
US-5283353-A Enzymeric cleavage from glycoprotein GENZYME CORPORATION (US) 1994-02-01 US disclosed
EP-0299007-A4 PREPARATION OF 1-AMINO-1-DEOXYOLIGOSACCHARIDES AND DERIVATIVES THEREOF. GENZYME CORP (US) 1990-03-08 EP disclosed
EP-0299007-A1 PREPARATION OF 1-AMINO-1-DEOXYOLIGOSACCHARIDES AND DERIVATIVES THEREOF GENZYME CORPORATION (US) 1989-01-18 EP disclosed
WO-1988004323-A1 PREPARATION OF 1-AMINO-1-DEOXYOLIGOSACCHARIDES AND DERIVATIVES THEREOF GENZYME CORPORATION (US) 1988-06-16 WO disclosed