SCHEMBL7007731

SCHEMBL7007731

COCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3n2S(=O)(=O)c2cccnc2)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
CYP2C9 P11712 2/20 0.40
LMNA P02545 2/20 0.40
HPGD P15428 2/20 0.40
WDR5 P61964 2/20 0.40
KMT2A Q03164 2/20 0.40
DDAH1 O94760 1/20 0.40
HTR1A P08908 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
IDE P14735 1/20 0.40
ADRA2B P18089 1/20 0.40
TBXA2R P21731 1/20 0.40
ACHE P22303 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
NPY1R P25929 1/20 0.40
ADORA1 P30542 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40

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
SCHEMBL7012210 0.87 MAPT (0.47) ALDH1A1MAPTCYP2C9LMNAHPGD
SCHEMBL7011476 0.86 TSHR (0.36) ALDH1A1MAPTLMNAHPGDGAA
SCHEMBL13053507 0.86 ALDH1A1 (0.38) ALDH1A1MAPTCYP2C9LMNAHPGD
SCHEMBL5760930 0.86 ALDH1A1 (0.38) ALDH1A1MAPTCYP2C9LMNAHPGD
SCHEMBL5760918 0.86 GAA (0.39) ALDH1A1MAPTCYP2C9LMNAHPGD
SCHEMBL5760914 0.85 ALDH1A1 (0.37) ALDH1A1MAPTCYP2C9LMNAHPGD
SCHEMBL7233029 0.85 PKM (0.42) ALDH1A1MAPTCYP2C9LMNAHPGD
SCHEMBL5763423 0.85 ALDH1A1 (0.44) ALDH1A1MAPTCYP2C9LMNAHPGD
SCHEMBL5763411 0.85 ALDH1A1 (0.44) ALDH1A1MAPTCYP2C9LMNAHPGD
SCHEMBL13053533 0.85 ALDH1A1 (0.44) ALDH1A1MAPTCYP2C9LMNAHPGD

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 6 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 claimed
EP-1105387-B1 PRODRUGS OF PROTON PUMP INHIBITORS WINSTON PHARMATEUTICALS LLC (US) 2003-01-29 EP 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