SCHEMBL9217586

SCHEMBL9217586

CCOC(=O)C(C)(C)Sc1nc2cccnc2s1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.50
CYP2C9 P11712 1/20 0.47
PPARA Q07869 1/20 0.46
ALDH1A1 P00352 1/20 0.45
PPOX P50336 6/20 0.45
KDM4E B2RXH2 2/20 0.42
AHR P35869 1/20 0.42
POLB P06746 1/20 0.42
TP53 P04637 3/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 2/20 0.39

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
SCHEMBL9216519 0.79 ALDH1A1 (0.56) PDK1CYP2C9ALDH1A1KDM4EPOLB
SCHEMBL9213501 0.77 KDM4E (0.50) PDK1CYP2C9ALDH1A1PPOXKDM4E
SCHEMBL9215570 0.77 ALDH1A1 (0.54) PDK1CYP2C9ALDH1A1KDM4EAHR
SCHEMBL16264455 0.77 CYP2C9 (0.58) PDK1CYP2C9ALDH1A1KDM4EAHR
SCHEMBL9218853 0.75 ALDH1A1 (0.55) PDK1CYP2C9ALDH1A1KDM4EPOLB
SCHEMBL9217591 0.75 CYP2C9 (0.48) PDK1CYP2C9PPARAALDH1A1KDM4E
SCHEMBL9208158 0.75 CYP2C9 (0.45) CYP2C9ALDH1A1KDM4EAHRPOLB
SCHEMBL9208442 0.75 ALDH1A1 (0.48) PDK1CYP2C9ALDH1A1KDM4EAHR
SCHEMBL9208444 0.75 ALDH1A1 (0.48) PDK1CYP2C9ALDH1A1KDM4EAHR
SCHEMBL9217714 0.73 ALDH1A1 (0.55) PDK1ALDH1A1PPOXKDM4EPOLB

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
EP-0405976-B1 Azole derivatives and antiulcerative composition containing same MEIJI SEIKA CO (JP) 1995-04-05 EP disclosed
US-5200407-A Antisecretory agents MEIJI SEIKA KABURHIKI KAISHA (JP) 1993-04-06 US disclosed
US-5141946-A Antisecretory agents; acid resistance MEIJI SEIKA KABUSHIKI KAISHA (JP) 1992-08-25 US disclosed
US-5079255-A Nontoxic, acid stability MEIJI SEIKA KABUSHIKI KAISHA (JP) 1992-01-07 US disclosed