SCHEMBL5988718

SCHEMBL5988718

COc1c(C)cnc(C[S+]([O-])n2cnc3ccccc32)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGXT P21549 1/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ WDR5 P61964 2/20 0.42
▸ PDE10A Q9Y233 1/20 0.38
▸ ATP4A P20648 2/20 0.38
▸ ATP4B P51164 2/20 0.38
▸ HSP90AA1 P07900 5/20 0.37
▸ HSP90AB1 P08238 2/20 0.35
▸ SHMT2 P34897 1/20 0.35
▸ HSP90B1 P14625 1/20 0.35
▸ TRAP1 Q12931 1/20 0.35
▸ HTT P42858 3/20 0.35
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ BRS3 P32247 2/20 0.35
▸ MAPT P10636 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL30065339 1.00 AGXT (0.42) AGXTKMT2AWDR5PDE10AATP4A
SCHEMBL4604877 0.85 KMT2A (0.45) AGXTKMT2AWDR5PDE10AATP4A
SCHEMBL5984224 0.78 RAB9A (0.41) HTTMAPTSMN1; SMN2FGFR1NPC1
SCHEMBL9708898 0.76 WDR5 (0.42) AGXTKMT2AWDR5PDE10AATP4A
SCHEMBL9812452 0.76 KMT2A (0.41) AGXTKMT2AWDR5PDE10AATP4A
SCHEMBL5197626 0.76 KMT2A (0.41) AGXTKMT2AWDR5PDE10AATP4A
SCHEMBL4958916 0.76 KMT2A (0.41) AGXTKMT2AWDR5PDE10AATP4A
SCHEMBL13136704 0.75 PKM (0.42) AGXTKMT2AWDR5PDE10AATP4A
SCHEMBL13203871 0.75 KMT2A (0.41) AGXTKMT2AWDR5PDE10AATP4A
SCHEMBL13011306 0.75 KMT2A (0.41) AGXTKMT2AWDR5PDE10AATP4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1615624-A2 ORAL PHARMACEUTICAL PREPARATION COMPRISING A PROTON PUMP ANTAGONIST AND A BASIC EXCIPIENT ALTANA Pharma AG (DE) 2006-01-18 — — EP disclosed
WO-2004089342-A2 ORAL PHARMACEUTICAL PREPARATION COMPRISING A PROTON PUMP ANTAGONIST AND A BASIC EXIPIENT ALTANA PHARMA AG (DE) 2004-10-21 — — WO disclosed
EP-1326609-A2 STABLE ORAL FORMULATION CONTAINING BENZIMIDAZOLE DERIVATIVE Galephar M/F (BE) 2003-07-16 — — EP disclosed
WO-2002032425-A2 STABLE ORAL FORMULATION CONTAINING BENZIMIDAZOLE DERIVATIVE GALEPHAR M/F (BE) 2002-04-25 — — WO disclosed
EP-0991407-A2 STABILIZATION OF ACID SENSITIVE BENZIMIDAZOLS WITH AMINO/CYCLODEXTRIN COMBINATIONS HEXAL AG (DE) 2000-04-12 — — EP disclosed
US-5929244-A TREATING AN ENANTIOMERICALLY ENRICHED PREPARATION OF THE COMPOUND IN FAVOUR OF ITS (+) OR (-)-ENANTIOMER AT ROOM TEMPERATURE OR BELOW WITH A SOLVENT SELECTED FROM KETONES, ESTERS, ALCOHOL, NITRILES, HYROCARBONS, ETHERS, AMIDES ASTRA AKTIEBOLAG (SE) 1999-07-27 — — US disclosed
US-5877192-A Enantiomer provides improved antisecretory effect and a better clinical effect ASTRA AKTIEBOLAG (SE) 1999-03-02 — — US disclosed
US-5817338-A PLASTICIZING COMPOUND TO MINIZE REDUCTION OF ACID RESISTANCE ASTRA AKTIEBOLAG (SE) 1998-10-06 — — US disclosed
WO-1998040069-A2 STABILIZATION OF ACID SENSITIVE BENZIMIDAZOLES WITH AMINO ACID/CYCLODEXTRIN COMBINATIONS HEXAL AG (DE) 1998-09-17 — — WO disclosed
US-5753265-A ADENOSINE TRIPHOSPHATASE INHIBITOR; INHIBITS GASTIC ACID SECRETION IN MAMMALS ASTRA AKTIEBOLAG (SE) 1998-05-19 — — US disclosed
US-5714504-A ALKALINE SALTS OF OMEPRAZOLE; ANTIULCER AGENTS; MAGNESIUM OMEPRAZOLE OR SODIUM OMEPRAZOLE FOR EXAMPLE ASTRA AKTIEBOLAG (SE) 1998-02-03 — — US disclosed
US-5714504-A ALKALINE SALTS OF OMEPRAZOLE; ANTIULCER AGENTS; MAGNESIUM OMEPRAZOLE OR SODIUM OMEPRAZOLE FOR EXAMPLE ASTRA AKTIEBOLAG (SE) 1998-02-03 — — US disclosed
US-5693818-A SEPARATING DIASTEROMERIC ESTERS, DISSOLVING EACH IN ALKALINE SOLTION TO HYDROLYZE ESTER GROUP, NEUTRALIZING OPTICALLY PURE INTACT ENANTIOMERS ASTRA AKTIEBOLAG (SE) 1997-12-02 — — US disclosed
US-5693818-A SEPARATING DIASTEROMERIC ESTERS, DISSOLVING EACH IN ALKALINE SOLTION TO HYDROLYZE ESTER GROUP, NEUTRALIZING OPTICALLY PURE INTACT ENANTIOMERS ASTRA AKTIEBOLAG (SE) 1997-12-02 — — US disclosed
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