SCHEMBL9208907

SCHEMBL9208907

c1cnc2sc(SCC3CNCO3)nc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.50
ALDH1A1 P00352 7/20 0.39
POLB P06746 1/20 0.36
NPC1 O15118 8/20 0.34
RAB9A P51151 6/20 0.33
KDM4E B2RXH2 3/20 0.33
GLA P06280 2/20 0.33
GAA P10253 1/20 0.33
RUNX1 Q01196 1/20 0.33
CBFB Q13951 1/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 4/20 0.32
HTT P42858 3/20 0.32
PKM P14618 1/20 0.32
CYP1A2 P05177 3/20 0.32
CYP2D6 P10635 3/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL9213476 0.74 PDK1 (0.36) PDK1ALDH1A1POLBNPC1RAB9A
SCHEMBL9208015 0.69 PDK1 (0.63) PDK1ALDH1A1POLBNPC1RAB9A
SCHEMBL9212260 0.68 PDK1 (0.47) PDK1ALDH1A1POLBNPC1CYP2D6
SCHEMBL13768314 0.68 PDK1 (0.61) PDK1ALDH1A1POLBNPC1RAB9A
SCHEMBL9211341 0.67 PDK1 (0.59) PDK1ALDH1A1POLBKDM4EGAA
SCHEMBL9216855 0.67 PDK1 (0.55) PDK1ALDH1A1POLBNPC1RAB9A
SCHEMBL3076050 0.66 PDK1 (0.73) PDK1ALDH1A1POLBNPC1RAB9A
SCHEMBL1002931 0.66 PDK1 (0.73) PDK1ALDH1A1POLBNPC1RAB9A
SCHEMBL9212949 0.66 PDK1 (0.58) PDK1ALDH1A1POLBNPC1RAB9A
SCHEMBL9214665 0.66 MAPT (0.63) PDK1ALDH1A1POLBNPC1RAB9A

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