SCHEMBL4456772

SCHEMBL4456772

CC(=O)N[C@H](CSN=O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
KDM4E B2RXH2 2/20 0.52
THRB P10828 1/20 0.52
ALOX15 P16050 1/20 0.52
NFKB1 P19838 1/20 0.52
PTGS2 P35354 1/20 0.52
THPO P40225 1/20 0.52
RECQL P46063 1/20 0.52
BLM P54132 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALDH1A1 P00352 3/20 0.50
PRNP P04156 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
GNPAT O15228 1/20 0.36
PAM P19021 1/20 0.36
PSMB11 A5LHX3 1/20 0.36
PSMA7 O14818 1/20 0.36
PSMB1 P20618 1/20 0.36
PSMA1 P25786 1/20 0.36

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
SCHEMBL221192 1.00 MAPT (0.52) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL221191 1.00 MAPT (0.52) MAPTKDM4ETHRBALOX15NFKB1
Acetylcysteine SCHEMBL4428938 0.92 MAPT (0.68) MAPTKDM4ETHRBALOX15NFKB1
Acetylcysteine SCHEMBL4428940 0.92 MAPT (0.68) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL4462156 0.81 TGFBR1 (0.37) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL4469725 0.81 NOD1 (0.38) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL4461437 0.81 TGFBR1 (0.37) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL4459978 0.81 SMN1; SMN2 (0.48) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL4459983 0.81 SMN1; SMN2 (0.48) MAPTKDM4ETHRBALOX15NFKB1
SCHEMBL6555886 0.81 KDM4E (0.36) MAPTKDM4ETHRBALOX15NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009151744-A1 S-NITROSOMERCAPTO COMPOUNDS AND RELATED DERIVATIVES GALLEON PHARMACEUTICALS, INC. (US) 2009-12-17 WO disclosed