SCHEMBL7012978

SCHEMBL7012978

COc1ccc2c(c1)nc([S+]([O-])Cc1ncc(C)c(OC)c1C)n2S(=O)(=O)c1ccc(NC(C)=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HTR6 P50406 3/20 0.41
CYP2C9 P11712 2/20 0.40
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 2/20 0.38
RORC P51449 1/20 0.37
PKM P14618 2/20 0.36
KDM4E B2RXH2 2/20 0.36
WDR5 P61964 2/20 0.36
DDAH1 O94760 1/20 0.36
ABCB11 O95342 1/20 0.36
ATP1A1 P05023 1/20 0.36
ATP1B1 P05026 1/20 0.36
CYP1A2 P05177 1/20 0.36
CHRM2 P08172 1/20 0.36

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) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL7017470 0.94 CYP2C9 (0.40) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL7009476 0.90 CYP2C9 (0.45) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL12353538 0.89 CYP2C9 (0.41) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL5339698 0.89 CYP2C9 (0.43) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL7009636 0.89 CYP2C9 (0.44) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL14495756 0.88 CYP2C9 (0.40) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL5368641 0.88 CYP2C9 (0.40) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL5339696 0.88 CYP2C9 (0.43) KMT2AMEN1LMNASMN1; SMN2ALDH1A1
SCHEMBL7013702 0.88 CYP2C9 (0.43) KMT2AMEN1LMNASMN1; SMN2ALDH1A1

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