SCHEMBL8542308

SCHEMBL8542308

CCOCCCOc1ccnc(C[S+]([O-])c2nc3ccccc3[nH]2)c1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
LMNA P02545 5/20 0.49
CYP2C9 P11712 4/20 0.49
WDR5 P61964 4/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 4/20 0.49
ENGASE Q8NFI3 3/20 0.49
DDAH1 O94760 2/20 0.49
ADORA3 P0DMS8 2/20 0.49
HPGD P15428 2/20 0.49
TBXA2R P21731 2/20 0.49
NPY1R P25929 2/20 0.49
ADORA1 P30542 2/20 0.49
OPRM1 P35372 2/20 0.49
HTR3A P46098 2/20 0.49
FASN P49327 2/20 0.49
SARM1 Q6SZW1 2/20 0.49
ABCG2 Q9UNQ0 2/20 0.49
HTR1A P08908 1/20 0.49
IDE P14735 1/20 0.49

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
SCHEMBL6476745 0.95 KMT2A (0.46) KMT2ALMNACYP2C9WDR5MAPT
SCHEMBL9025509 0.94 KMT2A (0.45) KMT2ALMNACYP2C9WDR5MAPT
SCHEMBL9025491 0.94 KMT2A (0.45) KMT2ALMNACYP2C9WDR5MAPT
SCHEMBL8503963 0.90 KMT2A (0.52) KMT2ALMNACYP2C9WDR5MAPT
SCHEMBL8500335 0.90 KMT2A (0.55) KMT2ALMNACYP2C9WDR5MAPT
Rabeprazole SCHEMBL23336 0.90 KMT2A (0.61) KMT2ALMNACYP2C9WDR5MAPT
Dexrabeprazole SCHEMBL4946138 0.90 KMT2A (0.61) KMT2ALMNACYP2C9WDR5MAPT
SCHEMBL7988195 0.90 CYP2C9 (0.48) KMT2ALMNACYP2C9WDR5MAPT
SCHEMBL2983762 0.90 CYP2C9 (0.48) KMT2ALMNACYP2C9WDR5MAPT
Rabeprazole SCHEMBL23337 0.90 KMT2A (0.61) KMT2ALMNACYP2C9WDR5MAPT

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
US-5840910-A Pyridine derivatives having anti-ulcerative activity ESAI CO., LTD. (JP) 1998-11-24 US disclosed
EP-0268956-B2 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and a process for preparing the same EISAI CO LTD (JP) 1998-04-15 EP disclosed
EP-0786461-A1 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and a process for preparing the same Eisai Co., Ltd. (JP) 1997-07-30 EP disclosed
EP-0654471-A1 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and process for preparing the same Eisai Co., Ltd. (JP) 1995-05-24 EP disclosed
EP-0475456-A1 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and a process for preparing the same Eisai Co., Ltd. (JP) 1992-03-18 EP disclosed
US-5045552-A Pyridine derivatives having anti-ulcerative activity EISAI CO., LTD. (JP) 1991-09-03 US disclosed
EP-0268956-A2 Pyridine derivatives, pharmaceutical compositions comprising the same, the use of the same for the manufacture of medicaments having therapeutic or preventative value, and a process for preparing the same Eisai Co., Ltd. (JP) 1988-06-01 EP disclosed