SCHEMBL4910708

SCHEMBL4910708

CN(C)CCN[C@@H](CS)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 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 0.43
FOLH1 Q04609 1/20 0.37
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
NPC1 O15118 1/20 0.34
PRMT3 O60678 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 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
SCHEMBL7259702 0.81 KDM4E (0.50) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL900178 0.81 KDM4E (0.54) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL900182 0.81 KDM4E (0.54) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL17378062 0.81 KDM4E (0.54) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL2931879 0.80 NOS3 (0.46) KDM4EMAPTTHRBALOX15NFKB1
Hydrochloric Acid SCHEMBL16993797 0.79 KDM4E (0.52) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL7754995 0.78 FOLH1 (0.48) FOLH1
SCHEMBL2356190 0.78 KDM4E (0.52) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL1234302 0.78 KDM4E (0.52) KDM4EMAPTTHRBALOX15NFKB1
SCHEMBL1157631 0.78 KDM4E (0.52) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8278112-B2 reconstitute nucleosomes with site-specific mono, di- and trimethylation; (2-chloroethyl)-dimethylammonium chloride; (2-bromoethyl) ammonium bromide; assaying effect of methylation by nucleosome remodeling or octomer reconstitution THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-10-02 US disclosed
US-20080199964-A1 SITE-SPECIFIC INSTALLATION OF METHYL-LYSINE ANALOGUES INTO RECOMBINANT HISTONES REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-08-21 US disclosed