SCHEMBL9211341

SCHEMBL9211341

O=C(O)CSc1nc2cccnc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.59
ALDH1A1 P00352 4/20 0.57
HPGD P15428 4/20 0.49
HSD17B10 Q99714 3/20 0.49
POLB P06746 3/20 0.49
APEX1 P27695 1/20 0.49
RECQL P46063 1/20 0.49
KDM4E B2RXH2 3/20 0.48
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL9212502 0.87 PDK1 (0.58) PDK1ALDH1A1HPGDHSD17B10POLB
SCHEMBL9214665 0.87 MAPT (0.63) PDK1ALDH1A1HPGDHSD17B10POLB
SCHEMBL9210521 0.83 ALDH1A1 (0.64) PDK1ALDH1A1HPGDHSD17B10POLB
SCHEMBL9212431 0.83 ALDH1A1 (0.64) PDK1ALDH1A1HPGDHSD17B10POLB
SCHEMBL9216519 0.81 ALDH1A1 (0.56) PDK1ALDH1A1HPGDHSD17B10POLB
SCHEMBL9208992 0.80 ALDH1A1 (0.53) PDK1ALDH1A1HPGDHSD17B10POLB
SCHEMBL9211849 0.80 ALDH1A1 (0.68) PDK1ALDH1A1HPGDHSD17B10POLB
SCHEMBL9217714 0.80 ALDH1A1 (0.55) PDK1ALDH1A1HPGDHSD17B10POLB
SCHEMBL9219456 0.80 ALDH1A1 (0.53) PDK1ALDH1A1HPGDHSD17B10POLB
SCHEMBL9215570 0.79 ALDH1A1 (0.54) PDK1ALDH1A1HPGDHSD17B10POLB

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