SCHEMBL9212949

SCHEMBL9212949

CC(C)=CCSc1nc2cccnc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.58
ALDH1A1 P00352 2/20 0.47
POLB P06746 2/20 0.44
NPC1 O15118 6/20 0.41
MAPT P10636 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RAB9A P51151 4/20 0.37
CYP1A2 P05177 3/20 0.36
CYP2D6 P10635 3/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
RUNX1 Q01196 1/20 0.36
CBFB Q13951 1/20 0.36

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
SCHEMBL13768314 0.82 PDK1 (0.61) PDK1ALDH1A1POLBNPC1MAPT
SCHEMBL9214665 0.80 MAPT (0.63) PDK1ALDH1A1POLBNPC1MAPT
SCHEMBL14138445 0.78 MAPT (0.64) PDK1ALDH1A1POLBNPC1MAPT
SCHEMBL9208015 0.78 PDK1 (0.63) PDK1ALDH1A1POLBNPC1MAPT
SCHEMBL9208444 0.76 ALDH1A1 (0.48) PDK1ALDH1A1POLBNPC1MAPT
SCHEMBL9208442 0.76 ALDH1A1 (0.48) PDK1ALDH1A1POLBNPC1MAPT
SCHEMBL9211341 0.75 PDK1 (0.59) PDK1ALDH1A1POLBMAPTHPGD
SCHEMBL9215911 0.75 ALDH1A1 (0.46) PDK1ALDH1A1HPGD
SCHEMBL9215892 0.75 ALDH1A1 (0.46) PDK1ALDH1A1HPGD
SCHEMBL9215659 0.75 PDK1 (0.51) PDK1ALDH1A1POLBNPC1MAPT

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 5 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
EP-0405976-A1 Azole derivatives and antiulcerative composition containing same MEIJI SEIKA KABUSHIKI KAISHA (JP) 1991-01-02 EP disclosed