SCHEMBL30979367

SCHEMBL30979367

C=CCNc1ncnc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 13/20 1.00
PRMT1 Q99873 2/20 0.78
DNMT3B Q9UBC3 7/20 0.76
DNMT1 P26358 6/20 0.76
CARM1 Q86X55 2/20 0.72
EHMT2 Q96KQ7 2/20 0.72
TRDMT1 O14717 1/20 0.72
PRMT5 O14744 1/20 0.72
SUV39H1 O43463 1/20 0.72
PRMT3 O60678 1/20 0.72
INMT O95050 1/20 0.72
NSD2 O96028 1/20 0.72
PNMT P11086 1/20 0.72
NNMT P40261 1/20 0.72
HNMT P50135 1/20 0.72
WDR5 P61964 1/20 0.72
KMT2A Q03164 1/20 0.72
SETDB1 Q15047 1/20 0.72
RBBP5 Q15291 1/20 0.72
EZH2 Q15910 1/20 0.72

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
SCHEMBL31247976 1.00 DOT1L (1.00) DOT1LPRMT1DNMT3BDNMT1CARM1
SCHEMBL14191355 0.89 DOT1L (0.85) DOT1LPRMT1DNMT3BDNMT1CARM1
SCHEMBL14174645 0.89 DOT1L (0.85) DOT1LPRMT1DNMT3BDNMT1CARM1
SCHEMBL5060721 0.88 DOT1L (0.79) DOT1LPRMT1DNMT3BDNMT1CARM1
SCHEMBL30979354 0.88 DOT1L (0.84) DOT1LPRMT1DNMT3BDNMT1CARM1
SCHEMBL14174642 0.88 DOT1L (1.00) DOT1LPRMT1DNMT3BDNMT1CARM1
SCHEMBL14191440 0.88 DOT1L (1.00) DOT1LPRMT1DNMT3BDNMT1CARM1
SCHEMBL9058595 0.88 DOT1L (1.00) DOT1LPRMT1DNMT3BDNMT1CARM1
SCHEMBL5055439 0.87 DOT1L (0.83) DOT1LPRMT1DNMT3BDNMT1CARM1
SCHEMBL14174641 0.86 DOT1L (1.00) DOT1LPRMT1DNMT3BDNMT1CARM1

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
CN-117980316-A S-and SE-adenosyl-L-methionine analogues with active groups transferred to the target biomolecule by methyltransferases 伯明翰大学 2024-05-03 CN disclosed