SCHEMBL9216595

SCHEMBL9216595

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.39
GAA P10253 2/20 0.38
CYP2C9 P11712 1/20 0.37
POLB P06746 1/20 0.35
LMNA P02545 2/20 0.35
THRB P10828 1/20 0.35
TP53 P04637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PDK1 Q15118 1/20 0.33
KDM4E B2RXH2 3/20 0.33
AHR P35869 1/20 0.33
NPC1 O15118 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
GLA P06280 1/20 0.32
RAB9A P51151 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
SCHEMBL9206988 0.89 GAA (0.39) GAACYP2C9POLBLMNATHRB
SCHEMBL9206863 0.88 POLB (0.40) GAACYP2C9POLBLMNATHRB
SCHEMBL6483103 0.86 NPC1 (0.43) GAACYP2C9POLBLMNATHRB
SCHEMBL9208328 0.85 CYP2C9 (0.44) GAACYP2C9POLBLMNATHRB
SCHEMBL9216554 0.84 ALDH1A1 (0.40) GAACYP2C9POLBLMNATHRB
SCHEMBL9214938 0.84 NPC1 (0.41) GAACYP2C9POLBLMNATP53
SCHEMBL9212542 0.83 POLB (0.43) GAACYP2C9POLBLMNATHRB
SCHEMBL9208265 0.81 CYP2C9 (0.35) GAACYP2C9POLBLMNATHRB
SCHEMBL9208256 0.81 CYP2C9 (0.35) GAACYP2C9POLBLMNATHRB
SCHEMBL9216332 0.81 PDK1 (0.35) GAACYP2C9POLBLMNATP53

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 4 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