SCHEMBL5267666

SCHEMBL5267666

N=C(N)NCCSCC1O[C@@H](n2cnc3c(N)ncnc32)C(O)C1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT7 Q9NVM4 3/20 0.75
PRMT5 O14744 3/20 0.75
WDR77 Q9BQA1 2/20 0.75
DOT1L Q8TEK3 6/20 0.74
DNMT3B Q9UBC3 3/20 0.74
PNMT P11086 2/20 0.74
DNMT1 P26358 2/20 0.74
CARM1 Q86X55 3/20 0.69
AHCY P23526 2/20 0.68
NADK O95544 1/20 0.68
EHMT2 Q96KQ7 2/20 0.66
TRDMT1 O14717 1/20 0.66
SUV39H1 O43463 1/20 0.66
PRMT3 O60678 1/20 0.66
INMT O95050 1/20 0.66
NSD2 O96028 1/20 0.66
NNMT P40261 1/20 0.66
HNMT P50135 1/20 0.66
WDR5 P61964 1/20 0.66
KMT2A Q03164 1/20 0.66

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
SCHEMBL5055181 1.00 PRMT7 (0.75) PRMT7PRMT5WDR77DOT1LDNMT3B
SCHEMBL5055190 1.00 PRMT7 (0.75) PRMT7PRMT5WDR77DOT1LDNMT3B
SCHEMBL5055182 0.94 DOT1L (0.75) PRMT7PRMT5WDR77DOT1LDNMT3B
SCHEMBL5055174 0.94 DOT1L (0.75) PRMT7PRMT5WDR77DOT1LDNMT3B
SCHEMBL24478702 0.85 PRMT5 (1.00) PRMT7PRMT5WDR77DOT1LDNMT3B
SCHEMBL14894287 0.85 PRMT5 (0.75) PRMT7PRMT5WDR77DOT1LDNMT3B
SCHEMBL30083676 0.85 PRMT5 (1.00) PRMT7PRMT5WDR77DOT1LDNMT3B
SCHEMBL29776728 0.85 PRMT5 (1.00) PRMT7PRMT5WDR77DOT1LDNMT3B
SCHEMBL14894284 0.85 PRMT5 (0.75) PRMT7PRMT5WDR77DOT1LDNMT3B
SCHEMBL8572440 0.85 DOT1L (1.00) PRMT7PRMT5WDR77DOT1LDNMT3B

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
EP-1844062-A2 INHIBITORS OF DNA METHYLTRANSFERASE Methylgene, Inc. (CA) 2007-10-17 EP disclosed
WO-2006078752-A2 INHIBITORS OF DNA METHYLTRANSFERASE METHYLGENE, INC. (CA) 2006-07-27 WO disclosed