SCHEMBL9212502

SCHEMBL9212502

NC(=O)CSc1nc2cccnc2s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK1 Q15118 1/20 0.58
ALDH1A1 P00352 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.49
HPGD P15428 3/20 0.48
HSD17B10 Q99714 1/20 0.48
POLB P06746 3/20 0.48
APEX1 P27695 2/20 0.48
RECQL P46063 1/20 0.48
MAPT P10636 2/20 0.46
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 1/20 0.42
ALOX5 P09917 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL9211341 0.87 PDK1 (0.59) PDK1ALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL9214665 0.86 MAPT (0.63) PDK1ALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL9212431 0.82 ALDH1A1 (0.64) PDK1ALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL9210521 0.82 ALDH1A1 (0.64) PDK1ALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL9218235 0.81 PDK1 (0.52) PDK1ALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL9216519 0.80 ALDH1A1 (0.56) PDK1ALDH1A1HPGDHSD17B10POLB
SCHEMBL9211849 0.79 ALDH1A1 (0.68) PDK1ALDH1A1HPGDHSD17B10POLB
SCHEMBL9208992 0.79 ALDH1A1 (0.53) PDK1ALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL9219456 0.79 ALDH1A1 (0.53) PDK1ALDH1A1SMN1; SMN2HPGDHSD17B10
SCHEMBL9217714 0.79 ALDH1A1 (0.55) PDK1ALDH1A1SMN1; SMN2HPGDHSD17B10

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