SCHEMBL9219456

SCHEMBL9219456

CC(C)N(C(=O)CSc1nc2cccnc2s1)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
PDK1 Q15118 1/20 0.50
ALOX5 P09917 1/20 0.48
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 6/20 0.46
MAPT P10636 4/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
HTT P42858 2/20 0.45
HPGD P15428 3/20 0.44
GAA P10253 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 1/20 0.42

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
SCHEMBL9214665 0.82 MAPT (0.63) ALDH1A1PDK1ALOX5MEN1KMT2A
SCHEMBL9211849 0.81 ALDH1A1 (0.68) ALDH1A1PDK1MEN1KMT2AMAPT
SCHEMBL9211341 0.80 PDK1 (0.59) ALDH1A1PDK1ALOX5MEN1KMT2A
SCHEMBL9212502 0.79 PDK1 (0.58) ALDH1A1PDK1ALOX5MEN1KMT2A
SCHEMBL9216519 0.79 ALDH1A1 (0.56) ALDH1A1PDK1MEN1KMT2AMAPT
SCHEMBL9213211 0.79 ALDH1A1 (0.53) ALDH1A1PDK1ALOX5MEN1KMT2A
SCHEMBL9210521 0.79 ALDH1A1 (0.64) ALDH1A1PDK1MEN1KMT2AMAPT
SCHEMBL9212431 0.79 ALDH1A1 (0.64) ALDH1A1PDK1MEN1KMT2ANPSR1
SCHEMBL9215570 0.77 ALDH1A1 (0.54) ALDH1A1PDK1ALOX5MEN1KMT2A
SCHEMBL9208113 0.77 ALDH1A1 (0.52) ALDH1A1PDK1MEN1KMT2AMAPT

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