SCHEMBL19245156

SCHEMBL19245156

Nc1nc(F)nc2c1ncn2[C@@H]1O[C@H](CSCC[C@H](N)C(=O)O)C[C@H]1O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 8/20 0.74
DNMT3B Q9UBC3 6/20 0.74
DOT1L Q8TEK3 6/20 0.56
CARM1 Q86X55 2/20 0.56
EHMT2 Q96KQ7 2/20 0.56
HNMT P50135 2/20 0.56
PRMT1 Q99873 2/20 0.56
TRDMT1 O14717 1/20 0.56
PRMT5 O14744 1/20 0.56
SUV39H1 O43463 1/20 0.56
PRMT3 O60678 1/20 0.56
INMT O95050 1/20 0.56
NSD2 O96028 1/20 0.56
PNMT P11086 1/20 0.56
NNMT P40261 1/20 0.56
WDR5 P61964 1/20 0.56
KMT2A Q03164 1/20 0.56
SETDB1 Q15047 1/20 0.56
RBBP5 Q15291 1/20 0.56
EZH2 Q15910 1/20 0.56

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
SCHEMBL6341709 0.87 DOT1L (0.73) DNMT1DNMT3BDOT1LCARM1EHMT2
SCHEMBL14174632 0.87 DOT1L (0.73) DNMT1DNMT3BDOT1LCARM1EHMT2
SCHEMBL22276327 0.85 DNMT1 (1.00) DNMT1DNMT3BDOT1LCARM1EHMT2
SCHEMBL5055205 0.85 DNMT1 (1.00) DNMT1DNMT3BDOT1LCARM1EHMT2
SCHEMBL5055228 0.85 DNMT1 (1.00) DNMT1DNMT3BDOT1LCARM1EHMT2
SCHEMBL14174715 0.83 DNMT1 (0.73) DNMT1DNMT3BDOT1LCARM1EHMT2
SCHEMBL29056321 0.81 NT5E (0.58) DNMT1DNMT3BLMNANT5EHIF1A
SCHEMBL3036901 0.79 LMNA (0.65) DNMT1DNMT3BLMNANT5EHIF1A
SCHEMBL21132768 0.79 LMNA (0.65) DNMT1DNMT3BLMNANT5EHIF1A
SCHEMBL3036906 0.79 LMNA (0.65) DNMT1DNMT3BLMNANT5EHIF1A

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
WO-2017136194-A1 CHEMOENZYMATIC SYNTHESIS OF S-NUCLEOSYL AMINO ACIDS (SNA), ANALOGS OF S-ADENOSYL-L-METHIONINE AND S-ADENOSYL-L-HOMOCYSTEINE AND USES THEREOF ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2017-08-10 WO disclosed