SCHEMBL30388331

SCHEMBL30388331

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C[S+](CC[C@H](N)C(=O)[O-])CC(=O)O)[C@@H](O)[C@H]1O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 5/20 0.77
PCMT1 P22061 3/20 0.77
PRMT5 O14744 3/20 0.77
PRMT1 Q99873 3/20 0.77
NSD3 Q9BZ95 2/20 0.77
PRMT3 O60678 2/20 0.77
PNMT P11086 2/20 0.77
PRMT6 Q96LA8 2/20 0.77
WDR77 Q9BQA1 2/20 0.77
PRMT7 Q9NVM4 2/20 0.77
ADORA3 P0DMS8 1/20 0.77
KDR P35968 1/20 0.77
PRMT8 Q9NR22 1/20 0.77
AMD1 P17707 3/20 0.69
NNMT P40261 3/20 0.62
DOT1L Q8TEK3 5/20 0.61
EHMT2 Q96KQ7 4/20 0.61
NSD2 O96028 3/20 0.61
SETD7 Q8WTS6 3/20 0.61
TRDMT1 O14717 2/20 0.61

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
SCHEMBL30965845 0.94 CARM1 (0.78) CARM1PCMT1PRMT5PRMT1NSD3
Ademetionine SCHEMBL1300198 0.87 CARM1 (1.00) CARM1PCMT1PRMT5PRMT1NSD3
Ademetionine SCHEMBL25176 0.87 CARM1 (1.00) CARM1PCMT1PRMT5PRMT1NSD3
Ademetionine SCHEMBL1300205 0.87 CARM1 (1.00) CARM1PCMT1PRMT5PRMT1NSD3
Ademetionine SCHEMBL29355793 0.87 CARM1 (1.00) CARM1PCMT1PRMT5PRMT1NSD3
Ademetionine SCHEMBL4747876 0.86 CARM1 (0.98) CARM1PCMT1PRMT5PRMT1NSD3
Ademetionine SCHEMBL1980696 0.86 CARM1 (0.98) CARM1PCMT1PRMT5PRMT1NSD3
SCHEMBL30930805 0.85 CARM1 (0.78) CARM1PCMT1PRMT5PRMT1NSD3
SCHEMBL2287096 0.85 CARM1 (0.81) CARM1PCMT1PRMT5PRMT1NSD3
SCHEMBL2287080 0.85 CARM1 (0.81) CARM1PCMT1PRMT5PRMT1NSD3

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
US-20230145297-A1 METHODS FOR COLLECTING ELECTRON DIFFRACTION PATTERNS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-05-11 US disclosed