SCHEMBL5203596

SCHEMBL5203596

CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)C1(C)Cc1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 20/20 1.00
ITGB2 P05107 19/20 1.00
ICAM1 P05362 19/20 1.00

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
SCHEMBL5203590 1.00 ITGAL (1.00) ITGALITGB2ICAM1
SCHEMBL5203942 0.89 ITGAL (0.80) ITGALITGB2ICAM1
SCHEMBL5239341 0.89 ITGAL (0.80) ITGALITGB2ICAM1
SCHEMBL13879396 0.84 ITGAL (0.73) ITGALITGB2ICAM1
SCHEMBL12647778 0.83 ITGAL (0.70) ITGALITGB2ICAM1
SCHEMBL6312522 0.83 ITGAL (0.70) ITGALITGB2ICAM1
SCHEMBL21688324 0.82 ITGAL (0.69) ITGALITGB2ICAM1
SCHEMBL13817247 0.77 ITGB2 (1.00) ITGALITGB2ICAM1
SCHEMBL13817048 0.77 ITGB2 (0.71) ITGALITGB2ICAM1
SCHEMBL4018223 0.77 ITGB2 (1.00) ITGALITGB2ICAM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1284973-B1 INHIBITORS OF ALPHA L BETA 2 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2007-06-27 EP disclosed
EP-1311852-A4 METHODS AND MOLECULES USEFUL FOR IDENTIFYING MOLECULES THAT BIND LFA-1 AND FOR DETERMINING RECEPTOR OCCUPANCY BOEHRINGER INGELHEIM PHARMA (US) 2006-03-15 EP disclosed
US-20050222193-A1 Novel combination for the treatment of airway disorders ALTANA PHARMA AG (DE) 2005-10-06 US disclosed
WO-2005074932-A1 THE USE OF (S) - PANTOPRAZOLE MAGNESIUM FOR THE TREATMENT OF AIRWAY DISORDERS ALTANA PHARMA AG (DE) 2005-08-18 WO disclosed
US-20050165041-A1 Combination for the treatment of airway disorders ALTANA PHARMA AG (DE) 2005-07-28 US disclosed
EP-1517706-A2 COMBINATION OF A PROTON PUMP INHIBITOR AND A RESPIRATORY AGENT FOR THE TREATMENT OF RESPIRATORY DISEASES ALTANA Pharma AG (DE) 2005-03-30 EP disclosed
EP-1506016-A2 NEW COMBINATION OF REVERSIBLE PROTON PUMP INHIBITORS AND AIRWAY THERAPEUTICS FOR TREATING AIRWAY DISORDERS ALTANA Pharma AG (DE) 2005-02-16 EP disclosed
US-6846643-B2 Methods and molecules useful for identifying molecules that bind LFA-1 and for determining receptor occupancy BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-01-25 US disclosed
WO-2003094967-A2 NEW COMBINATION OF REVERSIBLE PROTON PUMP INHIBITORS AND AIRWAY THERAPEUTICS FOR TREATING AIRWAY DISORDERS ALTANA PHARMA AG (DE) 2003-11-20 WO disclosed
WO-2003094968-A2 COMBINATION OF A PROTON PUMP INHIBITOR AND A RESPIRATORY AGENT FOR THE TREATMENT OF RESPIRATORY DISEASES ALTANA PHARMA AG (DE) 2003-11-20 WO disclosed
US-20030175814-A1 Methods and molecules useful for identifying molecules that bind LFA-1 and for determining receptor occupancy WOSKA JOSEPH R (US) 2003-09-18 US disclosed
EP-1311852-A1 METHODS AND MOLECULES USEFUL FOR IDENTIFYING MOLECULES THAT BIND LFA-1 AND FOR DETERMINING RECEPTOR OCCUPANCY BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2003-05-21 EP disclosed
US-20020068305-A1 Methods and molecules useful for identifying molecules that bind LFA-1 and for determining receptor occupancy BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-06-06 US disclosed
WO-2002024307-A2 REDUCING THE CONTENT OF PARTICULAR CELL TYPES IN A BIOLOGICAL SAMPLE ALLIED THERAPEUTICS LIMITED (GB) 2002-03-28 WO disclosed
WO-2002014865-A1 METHODS AND MOLECULES USEFUL FOR IDENTIFYING MOLECULES THAT BIND LFA-1 AND FOR DETERMINING RECEPTOR OCCUPANCY BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-02-21 WO disclosed