SCHEMBL9217591

SCHEMBL9217591

CCOC(=O)CC(C)Sc1nc2cccnc2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.48
PDK1 Q15118 1/20 0.47
ALDH1A1 P00352 2/20 0.43
LMNA P02545 4/20 0.42
GAA P10253 2/20 0.41
KDM4E B2RXH2 4/20 0.40
AHR P35869 1/20 0.40
TP53 P04637 4/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
POLB P06746 1/20 0.40
PPARA Q07869 1/20 0.39
THRB P10828 1/20 0.38
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL9811037 0.82 ALDH1A1 (0.55) ALDH1A1LMNAGAAKDM4ETP53
SCHEMBL9216519 0.81 ALDH1A1 (0.56) CYP2C9PDK1ALDH1A1LMNAKDM4E
SCHEMBL9213501 0.79 KDM4E (0.50) CYP2C9PDK1ALDH1A1LMNAKDM4E
SCHEMBL9218853 0.77 ALDH1A1 (0.55) CYP2C9PDK1ALDH1A1LMNAKDM4E
SCHEMBL9208163 0.76 CYP2C9 (0.44) CYP2C9ALDH1A1LMNAGAAKDM4E
SCHEMBL9217586 0.75 PDK1 (0.50) CYP2C9PDK1ALDH1A1LMNAGAA
SCHEMBL9215570 0.74 ALDH1A1 (0.54) CYP2C9PDK1ALDH1A1LMNAGAA
SCHEMBL16264455 0.74 CYP2C9 (0.58) CYP2C9PDK1ALDH1A1LMNAGAA
SCHEMBL9213211 0.74 ALDH1A1 (0.53) CYP2C9PDK1ALDH1A1LMNAGAA
SCHEMBL9211849 0.73 ALDH1A1 (0.68) PDK1ALDH1A1LMNAHPGDHSD17B10

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