SCHEMBL4632785

SCHEMBL4632785

CC(=O)NC(CS)C(=O)NCS.CC(=O)N[C@@H](CS)C(=O)NCCS

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 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
SIRT6 Q8N6T7 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
ACE P12821 1/20 0.36
ALDH1A1 P00352 2/20 0.34
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CA12 O43570 1/20 0.34
CA3 P07451 1/20 0.34

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
SCHEMBL4632781 1.00 KDM4E (0.52) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL931196 0.95 KDM4E (0.57) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL928644 0.91 KDM4E (0.61) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL930076 0.84 KDM4E (0.53) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL929209 0.83 KDM4E (0.52) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL12157363 0.82 KDM4E (0.55) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL14471244 0.79 SIRT6 (0.56) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL14611666 0.78 KDM4E (0.64) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL21153020 0.78 KDM4E (0.64) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL14099595 0.78 KDM4E (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1584615-B1 Use of dimercaptoamides for permanently deforming of keratinic fibres OREAL (FR) 2008-05-28 EP claimed