SCHEMBL5184990

SCHEMBL5184990

Nc1ncnc2c1ncn2[C@@H]1O[C@H](CN(C(=O)OCc2ccccc2)[C@@H](CCS)C(=O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AHCY P23526 1/20 0.62
DOT1L Q8TEK3 4/20 0.61
GNMT Q14749 1/20 0.57
WDR5 P61964 4/20 0.56
KMT2A Q03164 4/20 0.56
RBBP5 Q15291 4/20 0.56
DPY30 Q9C005 4/20 0.56
ASH2L Q9UBL3 4/20 0.56
EZH2 Q15910 1/20 0.55
NNMT P40261 5/20 0.54
SMYD3 Q9H7B4 2/20 0.53
SETD2 Q9BYW2 1/20 0.53
TRDMT1 O14717 1/20 0.53

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
SCHEMBL4727574 0.91 MARS1 (0.61) AHCYDOT1LGNMTWDR5KMT2A
SCHEMBL28127840 0.82 EZH2 (0.65) DOT1LWDR5KMT2ARBBP5DPY30
SCHEMBL17164713 0.82 EZH2 (0.65) DOT1LWDR5KMT2ARBBP5DPY30
SCHEMBL19111341 0.81 SMYD3 (0.66) DOT1LWDR5KMT2ARBBP5DPY30
SCHEMBL14905991 0.80 CARM1 (0.59) AHCYDOT1LNNMTSETD2TRDMT1
SCHEMBL622588 0.78 ADORA1 (0.69) AHCYDOT1LKMT2A
SCHEMBL28939535 0.77 EZH2 (0.59) AHCYDOT1LWDR5KMT2ARBBP5
SCHEMBL30532261 0.77 EZH2 (0.63) DOT1LWDR5KMT2ARBBP5DPY30
SCHEMBL11420629 0.76 AHCY (0.73) AHCYDOT1L
SCHEMBL11420645 0.76 AHCY (0.73) AHCYDOT1L

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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