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
SCHEMBL4159564 0.67 MTAP (0.71) —
SCHEMBL15318133 0.67 PNP (0.64) —
SCHEMBL14174651 0.57 DNMT3B (0.48) DNMT3BDNMT1HNMTDOT1LCARM1
SCHEMBL27791649 0.57 BHMT (0.76) —
SCHEMBL1031684 0.57 BHMT (0.76) —
SCHEMBL1031686 0.57 BHMT (0.76) —
SCHEMBL21851894 0.57 BHMT (0.76) —
SCHEMBL12436335 0.56 DNMT3B (0.49) DNMT3BDNMT1HNMTDOT1LCARM1
SCHEMBL14433645 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
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