SCHEMBL7014064

SCHEMBL7014064

COc1ccc2nc(SCc3ncc(C)c(OC)c3C)n(S(=O)(=O)c3ccccc3)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 2/20 0.53
CYP2C9 P11712 2/20 0.47
KMT2A Q03164 5/20 0.45
MEN1 O00255 2/20 0.45
WDR5 P61964 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 3/20 0.43
HPGD P15428 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
DDAH1 O94760 1/20 0.43
ABCB11 O95342 1/20 0.43
ATP1A1 P05023 1/20 0.43
ATP1B1 P05026 1/20 0.43
CYP1A2 P05177 1/20 0.43
CHRM2 P08172 1/20 0.43
ABCB1 P08183 1/20 0.43
CYP3A4 P08684 1/20 0.43
ADORA3 P0DMS8 1/20 0.43

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
SCHEMBL7009207 0.93 BRS3 (0.51) BRS3CYP2C9KMT2AMEN1WDR5
SCHEMBL14356330 0.90 HPGD (0.48) BRS3KMT2AWDR5ALDH1A1HTT
SCHEMBL5361796 0.87 BRS3 (0.48) BRS3CYP2C9KMT2AMEN1WDR5
SCHEMBL5365325 0.87 BRS3 (0.48) BRS3CYP2C9KMT2AMEN1WDR5
SCHEMBL5362013 0.84 BRS3 (0.46) BRS3CYP2C9KMT2AMEN1WDR5
SCHEMBL14356275 0.84 BRS3 (0.46) BRS3CYP2C9KMT2AMEN1WDR5
SCHEMBL7223145 0.82 BRS3 (0.47) BRS3CYP2C9KMT2AMEN1WDR5
SCHEMBL14356254 0.82 BRS3 (0.47) BRS3CYP2C9KMT2AMEN1WDR5
SCHEMBL7012878 0.81 CYP2C9 (0.45) BRS3CYP2C9KMT2AMEN1WDR5
SCHEMBL5367609 0.81 BRS3 (0.46) BRS3CYP2C9KMT2AMEN1WDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6093734-A PYRIDYL METHYL SULFINYL BENZIMIDAZOLE TYPE PROTON PUMP INHIBITOR DRUGS HAVING A HYDROLYZABLE SULFINYL OR ARYLSULFONYL GROUP ATTACHED TO THE BENZIMIDAZOLE NITROGEN; GASTROINTESTINAL DISORDERS PARTNERSHIP OF MICHAEL E. GARST, GEORGE SACHS, AND JAI MOO SHIN (US) 2000-07-25 US 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