SCHEMBL9216045

SCHEMBL9216045

CC(=O)C[S+]([O-])c1nc2cccnc2s1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
PDK1 Q15118 1/20 0.41
NPC1 O15118 3/20 0.39
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 2/20 0.38
GLA P06280 1/20 0.38
RUNX1 Q01196 1/20 0.38
CBFB Q13951 1/20 0.38
TP53 P04637 5/20 0.37
LMNA P02545 4/20 0.37
MAPT P10636 3/20 0.37
THRB P10828 2/20 0.36
CYP2C9 P11712 1/20 0.36
AHR P35869 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
SCHEMBL9207083 0.88 PDK1 (0.42) POLBPDK1NPC1GAAALDH1A1
SCHEMBL9217351 0.86 PDK1 (0.41) POLBPDK1NPC1GAAALDH1A1
SCHEMBL9212542 0.86 POLB (0.43) POLBPDK1NPC1GAAALDH1A1
SCHEMBL9217596 0.86 POLB (0.43) POLBPDK1NPC1GAAALDH1A1
SCHEMBL9218741 0.84 MAPT (0.44) POLBPDK1NPC1GAAALDH1A1
SCHEMBL9208328 0.84 CYP2C9 (0.44) POLBNPC1GAAALDH1A1KDM4E
SCHEMBL9211255 0.83 POLB (0.38) POLBPDK1NPC1GAAALDH1A1
SCHEMBL9216554 0.83 ALDH1A1 (0.40) POLBPDK1NPC1GAAALDH1A1
SCHEMBL9216240 0.83 GAA (0.38) POLBPDK1NPC1GAAALDH1A1
SCHEMBL9206863 0.82 POLB (0.40) POLBPDK1NPC1GAAALDH1A1

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