SCHEMBL4247653

SCHEMBL4247653

NC(CCSCC1NC(C2=NCC(N)c3cc[nH]c32)C(O)C1O)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNMT P50135 2/20 0.36
DNMT3B Q9UBC3 5/20 0.35
DNMT1 P26358 4/20 0.35
MTAP Q13126 1/20 0.34
DOT1L Q8TEK3 5/20 0.33
CARM1 Q86X55 2/20 0.33
EHMT2 Q96KQ7 2/20 0.33
TRDMT1 O14717 1/20 0.33
PRMT5 O14744 1/20 0.33
SUV39H1 O43463 1/20 0.33
PRMT3 O60678 1/20 0.33
INMT O95050 1/20 0.33
NSD2 O96028 1/20 0.33
PNMT P11086 1/20 0.33
NNMT P40261 1/20 0.33
WDR5 P61964 1/20 0.33
KMT2A Q03164 1/20 0.33
SETDB1 Q15047 1/20 0.33
RBBP5 Q15291 1/20 0.33
EZH2 Q15910 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
SCHEMBL4248836 0.78 DNMT3B (0.34) HNMTDNMT3BDNMT1DOT1LCARM1
SCHEMBL4159564 0.68 MTAP (0.71) MTAP
SCHEMBL15318133 0.68 PNP (0.64) MTAP
SCHEMBL14174651 0.56 DNMT3B (0.48) HNMTDNMT3BDNMT1DOT1LCARM1
SCHEMBL27791649 0.56 BHMT (0.76)
SCHEMBL1031686 0.56 BHMT (0.76)
SCHEMBL1031684 0.56 BHMT (0.76)
SCHEMBL21851894 0.56 BHMT (0.76)
SCHEMBL7270350 0.55 BHMT (0.50)
SCHEMBL7270358 0.55 BHMT (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771452-A4 INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND 5'METHYLTHIOADENOSINE/S-ADENOSYLHOMOCYSTEINE NUCLEOSIDASE BIOCRYST PHARM INC (US) 2009-07-15 EP claimed
EP-1771452-A2 INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND 5'METHYLTHIOADENOSINE/S-ADENOSYLHOMOCYSTEINE NUCLEOSIDASE BIOCRYST PHARMACEUTICALS, INC. (US) 2007-04-11 EP claimed
WO-2006014913-A2 INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND 5'METHYLTHIOADENOSINE/S-ADENOSYLHOMOCYSTEINE NUCLEOSIDASE BIOCRYST PHARMACEUTICALS, INC. (US) 2006-02-09 WO claimed