SCHEMBL3900720

SCHEMBL3900720

COCCCOc1ccnc([S+]([O-])c2nc3ccccc3[nH]2)c1C.[NaH]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 5/20 0.56
▸ CYP2C9 P11712 4/20 0.56
▸ WDR5 P61964 4/20 0.56
▸ LMNA P02545 4/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ ENGASE Q8NFI3 3/20 0.56
▸ MAPT P10636 3/20 0.56
▸ PDE4D Q08499 3/20 0.56
▸ DDAH1 O94760 2/20 0.56
▸ ADORA3 P0DMS8 2/20 0.56
▸ HPGD P15428 2/20 0.56
▸ TBXA2R P21731 2/20 0.56
▸ NPY1R P25929 2/20 0.56
▸ ADORA1 P30542 2/20 0.56
▸ OPRM1 P35372 2/20 0.56
▸ HTR3A P46098 2/20 0.56
▸ FASN P49327 2/20 0.56
▸ SARM1 Q6SZW1 2/20 0.56
▸ ABCG2 Q9UNQ0 2/20 0.56
▸ KCNH2 Q12809 2/20 0.56

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
Dexrabeprazole SCHEMBL22189141 0.86 KMT2A (0.60) KMT2ACYP2C9WDR5LMNAALDH1A1
Rabeprazole SCHEMBL491358 0.86 KMT2A (0.60) KMT2ACYP2C9WDR5LMNAALDH1A1
Rabeprazole SCHEMBL2998947 0.86 KMT2A (0.60) KMT2ACYP2C9WDR5LMNAALDH1A1
Rabeprazole SCHEMBL140495 0.86 KMT2A (0.60) KMT2ACYP2C9WDR5LMNAALDH1A1
Rabeprazole SCHEMBL2998946 0.86 KMT2A (0.60) KMT2ACYP2C9WDR5LMNAALDH1A1
Rabeprazole SCHEMBL27964348 0.85 KMT2A (0.59) KMT2ACYP2C9WDR5LMNAALDH1A1
Dexrabeprazole SCHEMBL4946138 0.84 KMT2A (0.61) KMT2ACYP2C9WDR5LMNAALDH1A1
Rabeprazole SCHEMBL29374701 0.84 KMT2A (0.61) KMT2ACYP2C9WDR5LMNAALDH1A1
Rabeprazole SCHEMBL29360086 0.84 KMT2A (0.61) KMT2ACYP2C9WDR5LMNAALDH1A1
Rabeprazole SCHEMBL23337 0.84 KMT2A (0.61) KMT2ACYP2C9WDR5LMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137633-A1 Stable pharmaceutical composition of rabeprazole CADILA PHARMACEUTICALS LIMITED (IN) 2009-05-28 — — US disclosed
EP-1660083-A4 STABLE PHARMACEUTICAL COMPOSITION OF RABEPRAZOLE CADILA PHARMACEUTICALS LTD (IN) 2009-03-25 — — EP disclosed
EP-1660083-A2 STABLE PHARMACEUTICAL COMPOSITION OF RABEPRAZOLE Khamar, Bakulesh Mafatlal (IN) 2006-05-31 — — EP disclosed
WO-2005016225-A2 STABLE PHARMACEUTICAL COMPOSITION OF RABEPRAZOLE KHAMAR BAKULESH MAFATLAL (IN) 2005-02-24 — — WO disclosed
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