SCHEMBL7009249

SCHEMBL7009249

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.41
KMT2A Q03164 5/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
WDR5 P61964 2/20 0.38
BRS3 P32247 2/20 0.38
HTT P42858 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ATP1A1 P05023 2/20 0.38
ATP1B1 P05026 2/20 0.38
MAPT P10636 2/20 0.38
ATP1A3 P13637 2/20 0.38
ATP1B2 P14415 2/20 0.38
ATP4A P20648 2/20 0.38
ATP1A2 P50993 2/20 0.38
ATP4B P51164 2/20 0.38
ATP1B3 P54709 2/20 0.38
FXYD2 P54710 2/20 0.38
ATP1A4 Q13733 2/20 0.38
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL7007874 0.94 KMT2A (0.41) CYP2C9KMT2AALDH1A1KDM4EWDR5
SCHEMBL7017470 0.94 CYP2C9 (0.40) CYP2C9KMT2AALDH1A1KDM4EWDR5
SCHEMBL7008250 0.90 CYP2C9 (0.47) CYP2C9KMT2AALDH1A1KDM4EWDR5
SCHEMBL7008064 0.90 CYP2C9 (0.42) CYP2C9KMT2AALDH1A1KDM4EWDR5
SCHEMBL5331906 0.89 CYP2C9 (0.45) CYP2C9KMT2AALDH1A1KDM4EWDR5
SCHEMBL7012965 0.89 CYP2C9 (0.46) CYP2C9KMT2AALDH1A1KDM4EWDR5
SCHEMBL14495759 0.88 CYP2C9 (0.42) CYP2C9KMT2AALDH1A1KDM4EWDR5
SCHEMBL5370630 0.88 CYP2C9 (0.42) CYP2C9KMT2AALDH1A1KDM4EWDR5
SCHEMBL5331900 0.88 CYP2C9 (0.45) CYP2C9KMT2AALDH1A1KDM4EWDR5
SCHEMBL5331898 0.88 CYP2C9 (0.45) CYP2C9KMT2AALDH1A1KDM4EWDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1105387-B1 PRODRUGS OF PROTON PUMP INHIBITORS WINSTON PHARMATEUTICALS LLC (US) 2003-01-29 EP claimed
EP-1105387-A1 PRODRUGS OF PROTON PUMP INHIBITORS Partnership of Michael E. Garst, George Sachs and Jai Moo Shin (US) 2001-06-13 EP claimed
WO-2000009498-A1 PRODRUGS OF PROTON PUMP INHIBITORS PARTNERSHIP OF MICHAEL E. GARST, GEORGE SACHS AND JAI MOO SHIN (US) 2000-02-24 WO claimed
US-6559167-B1 Prodrugs of the pyridyl methyl sulfinyl benzimidazole type proton pump inhibitor drugs have a hydrolyzable arylsulfonyl or heteroarylsulfonyl group attached to the benzimidazole nitrogen. The prodrugs of the invention hydrolyze under REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-05-06 US disclosed
EP-1105387-B1 PRODRUGS OF PROTON PUMP INHIBITORS WINSTON PHARMATEUTICALS LLC (US) 2003-01-29 EP disclosed
EP-1105387-A1 PRODRUGS OF PROTON PUMP INHIBITORS Partnership of Michael E. Garst, George Sachs and Jai Moo Shin (US) 2001-06-13 EP disclosed
WO-2000009498-A1 PRODRUGS OF PROTON PUMP INHIBITORS PARTNERSHIP OF MICHAEL E. GARST, GEORGE SACHS AND JAI MOO SHIN (US) 2000-02-24 WO disclosed