SCHEMBL4727574

SCHEMBL4727574

CSCC[C@@H](C(=O)O)N(C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O)C(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 4/20 0.61
DOT1L Q8TEK3 6/20 0.60
AHCY P23526 1/20 0.58
EZH2 Q15910 2/20 0.54
GNMT Q14749 1/20 0.54
WDR5 P61964 3/20 0.54
KMT2A Q03164 3/20 0.54
RBBP5 Q15291 3/20 0.54
DPY30 Q9C005 3/20 0.54
ASH2L Q9UBL3 3/20 0.54
SMYD3 Q9H7B4 1/20 0.52
SETD2 Q9BYW2 1/20 0.52
TRDMT1 O14717 2/20 0.52
NNMT P40261 2/20 0.52
CARM1 Q86X55 2/20 0.52
EHMT2 Q96KQ7 2/20 0.52
PRMT5 O14744 1/20 0.52
SUV39H1 O43463 1/20 0.52
PRMT3 O60678 1/20 0.52
INMT O95050 1/20 0.52

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
SCHEMBL5184990 0.91 AHCY (0.62) DOT1LAHCYEZH2GNMTWDR5
SCHEMBL5086452 0.83 MARS1 (0.72) MARS1DOT1LAHCYEZH2WDR5
SCHEMBL19100209 0.83 MARS1 (0.72) MARS1DOT1LAHCYEZH2WDR5
SCHEMBL2679879 0.82 MARS1 (0.71) MARS1DOT1LAHCYEZH2WDR5
SCHEMBL19111341 0.80 SMYD3 (0.66) DOT1LEZH2WDR5KMT2ARBBP5
SCHEMBL14905991 0.78 CARM1 (0.59) DOT1LAHCYSETD2TRDMT1NNMT
SCHEMBL38665162 0.78 MARS1 (0.65) MARS1DOT1LEZH2WDR5KMT2A
SCHEMBL622588 0.76 ADORA1 (0.69) DOT1LAHCYKMT2AADORA1
SCHEMBL3014292 0.76 MARS1 (1.00) MARS1DOT1LEZH2WDR5KMT2A
SCHEMBL583457 0.76 MARS1 (1.00) MARS1DOT1LEZH2WDR5KMT2A

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
WO-2008022265-A2 PLANT ISOFLAVONE AND ISOFLAVANONE O-METHYLTRANSFERASE GENES THE SAMUEL ROBERTS NOBLE FOUNDATION, INC. (US) 2008-02-21 WO disclosed
EP-1812454-A2 CHEMICAL SYNTHESIS OF S-ADENOSYL-L-METHIONINE WITH ENRICHMENT OF (S,S)-ISOMER Orchid Chemicals and Pharmaceuticals Ltd (IN) 2007-08-01 EP disclosed
WO-2006000883-A2 CHEMICAL SYNTHESIS OF S-ADENOSYL-L-METHIONINE WITH ENRICHMENT OF (S,S)-ISOMER ORCHID CHEMICALS & PHARMACEUTICALS LIMITED (IN) 2006-01-05 WO disclosed