SCHEMBL9216554

SCHEMBL9216554

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
HPGD P15428 1/20 0.40
GAA P10253 1/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2C9 P11712 1/20 0.37
HSD17B10 Q99714 1/20 0.37
PDK1 Q15118 1/20 0.36
LMNA P02545 2/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
TP53 P04637 1/20 0.35
NPC1 O15118 1/20 0.35
AHR P35869 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
SCHEMBL9212542 0.87 POLB (0.43) ALDH1A1GAAPOLBCYP2C9PDK1
SCHEMBL9206988 0.86 GAA (0.39) ALDH1A1GAATSHRPOLBCYP2C9
SCHEMBL9208328 0.85 CYP2C9 (0.44) ALDH1A1HPGDGAAPOLBCYP2C9
SCHEMBL9216595 0.84 CYP19A1 (0.39) ALDH1A1GAAPOLBMEN1KMT2A
SCHEMBL9211255 0.84 POLB (0.38) ALDH1A1GAAPOLBCYP2C9PDK1
SCHEMBL9206863 0.83 POLB (0.40) ALDH1A1GAAPOLBCYP2C9PDK1
SCHEMBL9216045 0.83 POLB (0.43) ALDH1A1GAAPOLBCYP2C9PDK1
SCHEMBL9216332 0.82 PDK1 (0.35) ALDH1A1HPGDGAATSHRPOLB
SCHEMBL9216240 0.81 GAA (0.38) ALDH1A1HPGDGAATSHRPOLB
SCHEMBL9207083 0.81 PDK1 (0.42) ALDH1A1HPGDGAATSHRPOLB

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