SCHEMBL5331906

SCHEMBL5331906

COc1ccc2nc([S+]([O-])Cc3ncc(C)c(OC)c3C)n(S(=O)(=O)c3ccc(O)cc3)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.45
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HTT P42858 3/20 0.41
WDR5 P61964 2/20 0.41
BRS3 P32247 2/20 0.41
ATP1A1 P05023 2/20 0.41
ATP1B1 P05026 2/20 0.41
ATP1A3 P13637 2/20 0.41
ATP1B2 P14415 2/20 0.41
ATP4A P20648 2/20 0.41
ATP1A2 P50993 2/20 0.41
ATP4B P51164 2/20 0.41
ATP1B3 P54709 2/20 0.41
FXYD2 P54710 2/20 0.41
ATP1A4 Q13733 2/20 0.41
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
DDAH1 O94760 1/20 0.41
ABCB11 O95342 1/20 0.41

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
SCHEMBL7008250 0.95 CYP2C9 (0.47) CYP2C9KMT2AALDH1A1HTTWDR5
SCHEMBL5339698 0.93 CYP2C9 (0.43) CYP2C9KMT2AALDH1A1HTTWDR5
SCHEMBL7012965 0.93 CYP2C9 (0.46) CYP2C9KMT2AALDH1A1HTTWDR5
SCHEMBL5331900 0.92 CYP2C9 (0.45) CYP2C9KMT2AALDH1A1HTTWDR5
SCHEMBL7012878 0.92 CYP2C9 (0.45) CYP2C9KMT2AALDH1A1HTTWDR5
SCHEMBL5331898 0.92 CYP2C9 (0.45) CYP2C9KMT2AALDH1A1HTTWDR5
SCHEMBL7011780 0.92 CYP2C9 (0.45) CYP2C9KMT2AALDH1A1HTTWDR5
SCHEMBL7011312 0.92 CYP2C9 (0.45) CYP2C9KMT2AALDH1A1HTTWDR5
SCHEMBL7012262 0.92 CYP2C9 (0.45) CYP2C9KMT2AALDH1A1HTTWDR5
SCHEMBL7231172 0.91 CYP2C9 (0.45) CYP2C9KMT2AALDH1A1HTTWDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007073301-A1 BENZOIMIDAZOLE DERIVATIVES AS PRODRUGS OF PROTON PUMP INHIBITORS ASTRAZENECA AB (SE) 2007-06-28 WO disclosed
EP-1556371-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR WINSTON PHARMACEUTICALS LLC (US) 2006-04-19 EP disclosed
EP-1556371-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR Winston Pharmaceuticals LLC (US) 2005-07-27 EP disclosed
WO-2004009583-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR GARST MICHAEL E (US) 2004-01-29 WO disclosed