SCHEMBL9216919

SCHEMBL9216919

O=S(=O)(CN1CCOCC1)c1nc2cccnc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.38
PDK1 Q15118 1/20 0.38
ALDH1A1 P00352 6/20 0.37
GAA P10253 4/20 0.37
RAB9A P51151 4/20 0.37
KDM4E B2RXH2 3/20 0.37
GLA P06280 2/20 0.37
NPC1 O15118 2/20 0.37
RUNX1 Q01196 1/20 0.37
CBFB Q13951 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
POLB P06746 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 3/20 0.36
PIK3CA P42336 1/20 0.36
HTT P42858 2/20 0.35

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
SCHEMBL9206848 0.71 PDK1 (0.50) PDK1ALDH1A1GAARAB9AKDM4E
SCHEMBL9215779 0.71 PDK1 (0.38) L3MBTL1PDK1ALDH1A1GAARAB9A
SCHEMBL30681219 0.71 SMN1; SMN2 (0.61) PDK1ALDH1A1GAARAB9ANPC1
SCHEMBL21114860 0.71 SMN1; SMN2 (0.61) PDK1ALDH1A1GAARAB9ANPC1
SCHEMBL8110164 0.70 PDK1 (0.50) PDK1ALDH1A1GAARAB9AKDM4E
SCHEMBL9216914 0.69 SLC6A2 (0.36) PDK1ALDH1A1GAARAB9AKDM4E
SCHEMBL9214629 0.69 GAA (0.40) L3MBTL1PDK1ALDH1A1GAARAB9A
SCHEMBL9218193 0.68 CHRNB4 (0.43) POLB
SCHEMBL9220138 0.68 POLB (0.44) L3MBTL1PDK1ALDH1A1GAARAB9A
SCHEMBL1272703 0.64 POLB (0.48) PDK1ALDH1A1GAARAB9AKDM4E

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