SCHEMBL6439731

SCHEMBL6439731

O=C(O)C1=Cc2sc(Cc3ncc[nH]3)cc2CC1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.53
TAAR1 Q96RJ0 4/20 0.35
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
HTR1A P08908 1/20 0.32
ROCK2 O75116 1/20 0.31
ALOX15 P16050 1/20 0.30

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
SCHEMBL10773726 0.89 TBXAS1 (0.42) TBXAS1TAAR1GAASMN1; SMN2HTR1A
SCHEMBL10775474 0.86 TBXAS1 (0.40) TBXAS1TAAR1GAASMN1; SMN2KDM4E
SCHEMBL10774871 0.81 TBXAS1 (0.53) TBXAS1TAAR1GAASMN1; SMN2HTR1A
SCHEMBL8068178 0.78 ALOX5 (0.32) TBXAS1
Hydrochloric Acid SCHEMBL10775884 0.69 TBXAS1 (0.53) TBXAS1TAAR1
SCHEMBL10777505 0.68 TBXAS1 (0.40) TBXAS1TAAR1GAASMN1; SMN2KDM4E
SCHEMBL9835155 0.68 TBXAS1 (0.79) TBXAS1GAA
SCHEMBL10772872 0.65 TBXAS1 (0.42) TBXAS1GAASMN1; SMN2HTTROCK2
SCHEMBL10548966 0.63 MEN1 (0.45) TBXAS1
SCHEMBL9835663 0.61 TBXAS1 (0.43) TBXAS1GAASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7223955-A None JP 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
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
JP-H07223955-A AGENT FOR TREATMENT AND PREVENTION OF DIABETIC COMPLICATION SANKYO CO LTD 1995-08-22 JP disclosed