SCHEMBL3850802

SCHEMBL3850802

COc1ccc2[nH]c([S+]([O-])Cc3ncc(C)c(OC)c3C)nc2c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.39
DDAH1 O94760 2/20 0.39
ENGASE Q8NFI3 2/20 0.39
SARM1 Q6SZW1 1/20 0.39
IDO2 Q6ZQW0 1/20 0.39
KMT2A Q03164 4/20 0.38
WDR5 P61964 3/20 0.38
BRS3 P32247 2/20 0.37
ATP4A P20648 3/20 0.36
ATP4B P51164 3/20 0.36
CYP2C9 P11712 2/20 0.36
ATP1A1 P05023 2/20 0.36
ATP1B1 P05026 2/20 0.36
ATP1A3 P13637 2/20 0.36
ATP1B2 P14415 2/20 0.36
ATP1A2 P50993 2/20 0.36
ATP1B3 P54709 2/20 0.36
FXYD2 P54710 2/20 0.36
ATP1A4 Q13733 2/20 0.36
KDM4E B2RXH2 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
SCHEMBL6545460 0.91 DDAH1 (0.41) AGXTDDAH1ENGASESARM1IDO2
SCHEMBL373230 0.88 DDAH1 (0.39) AGXTDDAH1ENGASESARM1IDO2
SCHEMBL12497852 0.88 DDAH1 (0.39) AGXTDDAH1ENGASESARM1IDO2
SCHEMBL7563072 0.87 DDAH1 (0.39) AGXTDDAH1ENGASESARM1IDO2
SCHEMBL2943585 0.86 DDAH1 (0.40) AGXTDDAH1ENGASESARM1IDO2
SCHEMBL5935831 0.85 DDAH1 (0.39) AGXTDDAH1ENGASESARM1IDO2
SCHEMBL12438867 0.82 DDAH1 (0.39) AGXTDDAH1ENGASESARM1IDO2
SCHEMBL9793480 0.81 AGXT (0.41) AGXTDDAH1ENGASESARM1IDO2
SCHEMBL14649674 0.80 BRS3 (0.40) AGXTDDAH1ENGASESARM1IDO2
SCHEMBL5764036 0.80 CYP2C9 (0.40) AGXTDDAH1ENGASESARM1IDO2

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-2114919-A2 PROCESS FOR THE PREPARATION OF OPTICALLY PURE OMEPRAZOLE VIA SALT FORMATION WITH A CHIRAL AMINE OR TREATMENT WITH AN ENTIOMER CONVERTING ENZYME AND CHROMATOGRAPHIC SEPERATION Krka Tovarna Zdravil, D.D., Novo Mesto (SI) 2009-11-11 EP claimed
EP-2048144-A1 Process for the preparation of optically pure omeprazole via salt formation with a chiral amine KRKA, tovarna zdravil, d.d., Novo mesto (SI) 2009-04-15 EP claimed
WO-2008092939-A2 PROCESS FOR THE PREPARATION OF OPTICALLY PURE OMEPRAZOLE VIA SALT FORMATION WITH A CHIRAL AMINE OR TREATMENT WITH AN ENTIOMER CONVERTING ENZYME AND CHROMATOGRAPHIC SEPARATION KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2008-08-07 WO claimed
US-6048981-A Magnesium omeprazole and process for its preparation TORCAN CHEMICAL LTD. (CA) 2000-04-11 US claimed
EP-2114919-A2 PROCESS FOR THE PREPARATION OF OPTICALLY PURE OMEPRAZOLE VIA SALT FORMATION WITH A CHIRAL AMINE OR TREATMENT WITH AN ENTIOMER CONVERTING ENZYME AND CHROMATOGRAPHIC SEPERATION Krka Tovarna Zdravil, D.D., Novo Mesto (SI) 2009-11-11 EP disclosed
EP-2048144-A1 Process for the preparation of optically pure omeprazole via salt formation with a chiral amine KRKA, tovarna zdravil, d.d., Novo mesto (SI) 2009-04-15 EP disclosed
WO-2008092939-A2 PROCESS FOR THE PREPARATION OF OPTICALLY PURE OMEPRAZOLE VIA SALT FORMATION WITH A CHIRAL AMINE OR TREATMENT WITH AN ENTIOMER CONVERTING ENZYME AND CHROMATOGRAPHIC SEPARATION KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2008-08-07 WO disclosed