SCHEMBL4543595

SCHEMBL4543595

O=NN[C@H](CS)C(=O)O.O=NS

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.47
NFKB1 P19838 1/20 0.47
PTGS2 P35354 1/20 0.47
THPO P40225 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ACE P12821 1/20 0.42
FOLH1 Q04609 2/20 0.40
PTGS1 P23219 1/20 0.34
SLC7A11 Q9UPY5 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TGFBR1 P36897 1/20 0.32
ENPEP Q07075 2/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30

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
SCHEMBL5372700 1.00 KDM4E (0.47) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL1775718 0.96
SCHEMBL57052 0.96
SCHEMBL1830619 0.96
SCHEMBL3263169 0.93
SCHEMBL218863 0.80 FOLH1 (0.39) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL5729609 0.80 FOLH1 (0.39) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL6398091 0.80 KDM4E (0.42) KDM4EMAPTTHRBALOX15NFKB1
Acetylcysteine SCHEMBL663702 0.75 MAPT (0.84) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7447971 0.74 ACE (0.47) KDM4EMAPTTHRBALOX15NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090311292-A1 PROCESS FOR SYNTHESIS AND INCORPORATION OF NITRIC OXIDE DONORS IN MACROMOLECULAR COMPOSITIONS CRISTALIA PRODUTOS QUIMICOS FARMACEUTICOS LTDA. (BR) 2009-12-17 US disclosed
WO-2008031182-A1 PROCESS FOR SYNTHESIS AND INCORPORATION OF NITRIC OXIDE DONORS IN MACROMOLECULAR COMPOSITIONS Cristália Produtos Químicos Farmacêuticos Ltda. (BR) 2008-03-20 WO disclosed
EP-1251838-A2 METHOD FOR USING POTASSIUM CHANNEL AGONISTS FOR DELIVERING A MEDICANT TO AN ABNORMAL BRAIN REGION AND/OR A MALIGNANT TUMOR Cedars-Sinai Medical Center (US) 2002-10-30 EP disclosed
EP-1251840-A2 METHOD FOR USING POTASSIUM CHANNEL ACTIVATION FOR DELIVERING A MEDICANT TO AN ABNORMAL BRAIN REGION AND/OR A MALIGNANT TUMOR CEDARS-SINAI MEDICAL CENTER (US) 2002-10-30 EP disclosed
WO-2001054680-A2 METHOD FOR USING POTASSIUM CHANNEL ACTIVATION FOR DELIVERING A MEDICANT TO AN ABNORMAL BRAIN REGION AND/OR A MALIGNANT TUMOR CEDARS-SINAI MEDICAL CENTER (US) 2001-08-02 WO disclosed
WO-2001054771-A2 METHOD FOR USING POTASSIUM CHANNEL AGONISTS FOR DELIVERING A MEDICANT TO AN ABNORMAL BRAIN REGION AND/OR A MALIGNANT TUMOR CEDARS-SINAI MEDICAL CENTER (US) 2001-08-02 WO disclosed