SCHEMBL9217540

SCHEMBL9217540

CCOC[S+]([O-])c1nc2cccnc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
NPC1 O15118 6/20 0.42
PDK1 Q15118 1/20 0.41
KDM4E B2RXH2 5/20 0.40
AHR P35869 1/20 0.40
RAB9A P51151 4/20 0.38
ALDH1A1 P00352 4/20 0.38
GAA P10253 3/20 0.38
GLA P06280 2/20 0.38
RUNX1 Q01196 1/20 0.38
CBFB Q13951 1/20 0.38
CYP2C9 P11712 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
HPGD P15428 3/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 3/20 0.35
MAPK1 P28482 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RXFP1 Q9HBX9 1/20 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
SCHEMBL9208328 0.79 CYP2C9 (0.44) POLBNPC1KDM4EAHRRAB9A
SCHEMBL9218741 0.79 MAPT (0.44) POLBNPC1PDK1KDM4EAHR
SCHEMBL9209770 0.77 NPC1 (0.50) POLBNPC1PDK1KDM4ERAB9A
SCHEMBL9216318 0.77 CYP2C9 (0.43) POLBNPC1KDM4EAHRALDH1A1
SCHEMBL9206730 0.76
SCHEMBL9216304 0.76 PDK1 (0.50) POLBNPC1PDK1KDM4ERAB9A
SCHEMBL9210123 0.76 PDK1 (0.44) POLBNPC1PDK1KDM4ERAB9A
SCHEMBL9217319 0.76 POLB (0.43) POLBNPC1PDK1KDM4ERAB9A
SCHEMBL9216045 0.76 POLB (0.43) POLBNPC1PDK1KDM4EAHR
SCHEMBL9212542 0.75 POLB (0.43) POLBNPC1PDK1KDM4EAHR

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