SCHEMBL4248836

SCHEMBL4248836

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT3B Q9UBC3 4/20 0.34
DNMT1 P26358 3/20 0.34
HNMT P50135 2/20 0.34
DOT1L Q8TEK3 3/20 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
METTL3 Q86U44 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
SCHEMBL4247653 0.78 HNMT (0.36) DNMT3BDNMT1HNMTDOT1LCARM1
SCHEMBL15318133 0.67 PNP (0.64)
SCHEMBL4159564 0.67 MTAP (0.71)
SCHEMBL14174651 0.57 DNMT3B (0.48) DNMT3BDNMT1HNMTDOT1LCARM1
SCHEMBL1031684 0.57 BHMT (0.76)
SCHEMBL27791649 0.57 BHMT (0.76)
SCHEMBL21851894 0.57 BHMT (0.76)
SCHEMBL1031686 0.57 BHMT (0.76)
SCHEMBL13073241 0.56 DNMT3B (0.49) DNMT3BDNMT1HNMTDOT1LCARM1
SCHEMBL12436335 0.56 DNMT3B (0.49) DNMT3BDNMT1HNMTDOT1LCARM1

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 disclosed
EP-1771452-A2 INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND 5'METHYLTHIOADENOSINE/S-ADENOSYLHOMOCYSTEINE NUCLEOSIDASE BIOCRYST PHARMACEUTICALS, INC. (US) 2007-04-11 EP disclosed
WO-2006014913-A2 INHIBITORS OF 5'-METHYLTHIOADENOSINE PHOSPHORYLASE AND 5'METHYLTHIOADENOSINE/S-ADENOSYLHOMOCYSTEINE NUCLEOSIDASE BIOCRYST PHARMACEUTICALS, INC. (US) 2006-02-09 WO disclosed