SCHEMBL5414007

SCHEMBL5414007

COCCCOc1ccnc(CNS(=O)(=O)c2nc3ccccc3[nH]2)c1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.60
CYP2C9 P11712 4/20 0.60
WDR5 P61964 4/20 0.60
ALDH1A1 P00352 4/20 0.60
ENGASE Q8NFI3 3/20 0.60
LMNA P02545 3/20 0.60
MAPT P10636 3/20 0.60
DDAH1 O94760 2/20 0.60
ADORA3 P0DMS8 2/20 0.60
HPGD P15428 2/20 0.60
TBXA2R P21731 2/20 0.60
NPY1R P25929 2/20 0.60
ADORA1 P30542 2/20 0.60
OPRM1 P35372 2/20 0.60
HTR3A P46098 2/20 0.60
FASN P49327 2/20 0.60
SARM1 Q6SZW1 2/20 0.60
ABCG2 Q9UNQ0 2/20 0.60
HTR1A P08908 1/20 0.60
IDE P14735 1/20 0.60

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
SCHEMBL2851052 0.99 KMT2A (0.59) KMT2ACYP2C9WDR5ALDH1A1ENGASE
SCHEMBL2851048 0.99 KMT2A (0.59) KMT2ACYP2C9WDR5ALDH1A1ENGASE
SCHEMBL5437937 0.95 KMT2A (0.54) KMT2ACYP2C9WDR5ALDH1A1ENGASE
SCHEMBL1307379 0.85 KMT2A (0.63) KMT2ACYP2C9WDR5ALDH1A1ENGASE
SCHEMBL30905609 0.85 KMT2A (0.63) KMT2ACYP2C9WDR5ALDH1A1ENGASE
SCHEMBL2364997 0.85 CYP2C9 (0.60) KMT2ACYP2C9WDR5ALDH1A1ENGASE
SCHEMBL6600439 0.84 CYP2C9 (0.62) KMT2ACYP2C9WDR5ALDH1A1ENGASE
SCHEMBL6600434 0.84 KMT2A (0.62) KMT2ACYP2C9WDR5ALDH1A1ENGASE
SCHEMBL10121508 0.82 KMT2A (0.62) KMT2ACYP2C9WDR5ALDH1A1ENGASE
1,4-Butanediol SCHEMBL2365476 0.82 CYP2C9 (0.55) KMT2ACYP2C9WDR5ALDH1A1ENGASE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1487820-A1 CRYSTALLINE FORMS OF RABEPRAZOLE SODIUM Dr. Reddy's Laboratories Ltd. (IN) 2004-12-22 EP claimed
WO-2003082858-A1 CRYSTALLINE FORMS OF RABEPRAZOLE SODIUM DR. REDDY'S LABORATORIES LIMITED (IN) 2003-10-09 WO claimed
WO-2007026188-A1 PROCESS FOR THE MANUFACTURE OF ANTIULCERATIVES WOCKHARDT LIMITED (IN) 2007-03-08 WO disclosed
EP-1615913-A2 PROCESS FOR PREPARING 2-(PYRIDINYL)METHYL SULFINYL-SUBSTITUTED BENZIMIDAZOLES AND NOVEL CHLORINATED DERIVATIVES OF PANTOPRAZOLE Teva Pharmaceutical Industries Limited (IL) 2006-01-18 EP disclosed
EP-1587805-A1 PAHARMACEUTICAL PROCESS AND COMPOUNDS PREPARED THEREBY Cipla Ltd. (IN) 2005-10-26 EP disclosed
WO-2004111029-A2 PROCESS FOR PREPARING 2-[(PYRIDINYL)METHYL]SULFINYL-SUBSTITUTED BENZIMIDAZOLES AND NOVEL CHLORINATED DERIVATIVES OF PANTOPRAZOLE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-12-23 WO disclosed
EP-1487820-A1 CRYSTALLINE FORMS OF RABEPRAZOLE SODIUM Dr. Reddy's Laboratories Ltd. (IN) 2004-12-22 EP disclosed
WO-2004098609-A1 BENZOTRIAZEPINE DERIVATIVES AND THEIR USE AS GASTRIN AND CHOLECYSTOKININ RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2004-11-18 WO disclosed
WO-2004063188-A1 PAHARMACEUTICAL PROCESS AND COMPOUNDS PREPARED THEREBY CIPLA LIMITED (IN) 2004-07-29 WO disclosed
WO-2003082858-A1 CRYSTALLINE FORMS OF RABEPRAZOLE SODIUM DR. REDDY'S LABORATORIES LIMITED (IN) 2003-10-09 WO disclosed