Menadione Sulfurous Acid

Menadione Sulfurous Acid

SCHEMBL9858437

CC1(S(=O)(=O)O)CC(=O)c2ccccc2C1=O.CC1(S(=O)(=O)O)CC(=O)c2ccccc2C1=O.Cc1ncc(CO)c(CN)c1O

nearest known ligand 0.56

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 3/20 0.41
MEN1 O00255 2/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA9 Q16790 3/20 0.38
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
GAA P10253 2/20 0.36
AOX1 Q06278 1/20 0.36
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
PDXK O00764 1/20 0.33

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
Menadione Sulfurous Acid SCHEMBL9858607 0.93 KDM4E (0.49) LMNAKDM4EALDH1A1KMT2AHPGD
Menadione Sulfurous Acid SCHEMBL9857868 0.85 KDM4E (0.55) LMNAKDM4EALDH1A1KMT2AHPGD
Menadione Sulfurous Acid SCHEMBL9858611 0.77 POLB (0.53) LMNAKDM4EALDH1A1KMT2AMEN1
Menadione Sulfurous Acid SCHEMBL459525 0.75 POLB (0.67) LMNAKDM4EALDH1A1KMT2AMEN1
Menadione Sulfurous Acid SCHEMBL18314150 0.75 POLB (0.67) LMNAKDM4EALDH1A1KMT2AMEN1
Menadione Sulfurous Acid SCHEMBL459907 0.73 POLB (0.65) LMNAKDM4EALDH1A1KMT2AMEN1
Menadione Sulfurous Acid SCHEMBL2403513 0.73 POLB (0.65) LMNAKDM4EALDH1A1KMT2AMEN1
Menadione Sulfurous Acid SCHEMBL461202 0.73 POLB (0.65) LMNAKDM4EALDH1A1KMT2AMEN1
Menadione Sulfurous Acid SCHEMBL459627 0.73 POLB (0.65) LMNAKDM4EALDH1A1KMT2AMEN1
Menadione Sulfurous Acid SCHEMBL460404 0.72 POLB (0.68) LMNAKDM4EALDH1A1KMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0234940-B1 NOVEL DERIVATIVES BASED UPON PYRIDO-MENADIONE ADDUCTS AND USES THEREOF Heterochemical Corporation (US) 1991-04-17 EP disclosed
US-4808602-A VITAMIN B6 AND VITAMIN K ACTIVITY HETEROCHEMICAL CORPORATION (US) 1989-02-28 US disclosed
EP-0234940-A2 Novel derivatives based upon pyrido-menadione adducts and uses thereof Heterochemical Corporation (US) 1987-09-02 EP disclosed