SCHEMBL9211573

SCHEMBL9211573

C/C=C/COC(=O)CSc1nc2cccnc2s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
PDK1 Q15118 1/20 0.46
HPGD P15428 4/20 0.43
MAPT P10636 5/20 0.41
LMNA P02545 3/20 0.41
SHMT2 P34897 1/20 0.41
HSD17B10 Q99714 2/20 0.40
TP53 P04637 2/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 2/20 0.39
APEX1 P27695 1/20 0.39
RECQL P46063 1/20 0.39
CYP2C9 P11712 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
THRB P10828 1/20 0.38
NR3C1 P04150 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL9211585 1.00 ALDH1A1 (0.52) ALDH1A1PDK1HPGDMAPTLMNA
SCHEMBL9207657 0.86 ALDH1A1 (0.51) ALDH1A1PDK1HPGDMAPTLMNA
SCHEMBL9216519 0.85 ALDH1A1 (0.56) ALDH1A1PDK1HPGDMAPTLMNA
SCHEMBL9209204 0.83 ALDH1A1 (0.54) ALDH1A1PDK1HPGDMAPTLMNA
SCHEMBL9215892 0.83 ALDH1A1 (0.46) ALDH1A1PDK1HPGD
SCHEMBL9215911 0.83 ALDH1A1 (0.46) ALDH1A1PDK1HPGD
SCHEMBL9212431 0.82 ALDH1A1 (0.64) ALDH1A1PDK1HPGDMAPTLMNA
SCHEMBL9213211 0.82 ALDH1A1 (0.53) ALDH1A1PDK1HPGDMAPTLMNA
SCHEMBL9217547 0.81 ALDH1A1 (0.55) ALDH1A1PDK1HPGDMAPTLMNA
SCHEMBL9208113 0.80 ALDH1A1 (0.52) ALDH1A1PDK1HPGDMAPTLMNA

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