SCHEMBL6438548

SCHEMBL6438548

COc1ccc2c(c1)c(OC(C)C)c(C(=O)Nc1nnn[nH]1)n2-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.43
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
MPO P05164 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
EDNRA P25101 3/20 0.40
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
PPARG P37231 1/20 0.38
MAPK8 P45983 4/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
TP53 P04637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
AKR1C3 P42330 1/20 0.35

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
SCHEMBL9536287 0.92 KDM4E (0.47) KDM4EMAPTHTTEDNRAMEN1
SCHEMBL9535097 0.90 PPARG (0.40) MAPTMPOCYSLTR1EDNRAALDH1A1
SCHEMBL9535821 0.89 MAPK8 (0.38) MAPTEDNRAPPARGMAPK8
SCHEMBL9535450 0.89 MAPK8 (0.36) PPARGMAPK8L3MBTL1
SCHEMBL9535836 0.88 MEN1 (0.44) KDM4EMAPTHTTEDNRAMEN1
SCHEMBL10760702 0.87 MEN1 (0.43) KDM4EMAPTHTTEDNRAMEN1
SCHEMBL10760718 0.87 MEN1 (0.43) KDM4EMAPTHTTEDNRAMEN1
SCHEMBL9539011 0.86 MPO (0.44) MAPTMPOCYSLTR1MEN1KMT2A
SCHEMBL9537498 0.86 KDM4E (0.44) KDM4EMAPTHTTEDNRAMEN1
SCHEMBL11022324 0.86 KDM4E (0.42) KDM4EMAPTHTTEDNRAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186367-B1 ACIDIC INDOLE COMPOUNDS AND THEIR USE AS ANTIALLERGY AGENTS WARNER-LAMBERT COMPANY (US) 1993-03-03 EP claimed
US-4675332-A Acidic tetrazolyl substituted indole compounds and their use as antiallergy agents WARNER-LAMBERT COMPANY (US) 1987-06-23 US claimed
EP-0186367-A2 Acidic indole compounds and their use as antiallergy agents WARNER-LAMBERT COMPANY (US) 1986-07-02 EP claimed
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
US-4675332-A Acidic tetrazolyl substituted indole compounds and their use as antiallergy agents WARNER-LAMBERT COMPANY (US) 1987-06-23 US disclosed
EP-0186367-A2 Acidic indole compounds and their use as antiallergy agents WARNER-LAMBERT COMPANY (US) 1986-07-02 EP disclosed