SCHEMBL9215779

SCHEMBL9215779

[O-][S+](CN1CCOCC1)c1nc2cccnc2s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.38
HTT P42858 1/20 0.37
POLB P06746 1/20 0.36
USP2 O75604 1/20 0.36
GAA P10253 1/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
PIK3CA P42336 2/20 0.36
LTA4H P09960 1/20 0.35
CXCR4 P61073 1/20 0.35
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PKM P14618 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL9214629 0.88 GAA (0.40) PDK1HTTPOLBUSP2GAA
SCHEMBL9639429 0.79 ADORA2A (0.34) POLBADORA2AADORA1RAB9ANPC1
SCHEMBL9211319 0.76 MYC (0.40) USP2GAALTA4HKDM4EHPGD
SCHEMBL9207415 0.74 DRD2 (0.38) PDK1POLBNPC1
SCHEMBL9210123 0.72 PDK1 (0.44) PDK1HTTPOLBGAAKDM4E
SCHEMBL9216919 0.71 L3MBTL1 (0.38) PDK1HTTPOLBUSP2GAA
SCHEMBL9206848 0.71 PDK1 (0.50) PDK1USP2GAAKDM4EHPGD
SCHEMBL21114860 0.71 SMN1; SMN2 (0.61) PDK1POLBUSP2GAAPIK3CA
SCHEMBL30681219 0.71 SMN1; SMN2 (0.61) PDK1POLBUSP2GAAPIK3CA
SCHEMBL9207083 0.70 PDK1 (0.42) PDK1HTTPOLBGAAKDM4E

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