SCHEMBL20097045

SCHEMBL20097045

Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](CSCC[C@H](N)C(=O)O)O1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 8/20 0.73
DNMT1 P26358 6/20 0.73
DNMT3B Q9UBC3 5/20 0.73
EZH2 Q15910 4/20 0.73
CARM1 Q86X55 3/20 0.73
EHMT2 Q96KQ7 3/20 0.73
PRMT1 Q99873 3/20 0.73
NNMT P40261 3/20 0.73
HNMT P50135 2/20 0.73
TRDMT1 O14717 2/20 0.73
PRMT5 O14744 2/20 0.73
INMT O95050 2/20 0.73
NSD2 O96028 2/20 0.73
METTL3 Q86U44 2/20 0.73
SETD7 Q8WTS6 2/20 0.73
EHMT1 Q9H9B1 2/20 0.73
METTL14 Q9HCE5 2/20 0.73
SUV39H1 O43463 1/20 0.73
PRMT3 O60678 1/20 0.73
PNMT P11086 1/20 0.73

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
SCHEMBL27092984 1.00 DOT1L (0.73) DOT1LDNMT1DNMT3BEZH2CARM1
SCHEMBL17833354 0.88 DOT1L (0.75) DOT1LDNMT1DNMT3BEZH2CARM1
SCHEMBL13978098 0.85 DOT1L (0.72) DOT1LDNMT1DNMT3BEZH2CARM1
SCHEMBL27092925 0.85 NNMT (0.57) DOT1LDNMT1DNMT3BEZH2CARM1
SCHEMBL27092933 0.85 NNMT (0.57) DOT1LDNMT1DNMT3BEZH2CARM1
S-Adenosylhomocysteine SCHEMBL18826562 0.84 DOT1L (1.00) DOT1LDNMT1DNMT3BEZH2CARM1
S-Adenosylhomocysteine SCHEMBL13033864 0.84 DOT1L (1.00) DOT1LDNMT1DNMT3BEZH2CARM1
S-Adenosylhomocysteine SCHEMBL10871157 0.84 DOT1L (1.00) DOT1LDNMT1DNMT3BEZH2CARM1
S-Adenosylhomocysteine SCHEMBL21160481 0.84 DOT1L (1.00) DOT1LDNMT1DNMT3BEZH2CARM1
S-Adenosylhomocysteine SCHEMBL12378912 0.84 DOT1L (1.00) DOT1LDNMT1DNMT3BEZH2CARM1

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-4324928-A1 SYNTHETIC REAGENTS FOR ENZYME-CATALYSED ALKYLATION Universität Basel (CH) 2024-02-21 EP claimed
EP-4324928-A1 SYNTHETIC REAGENTS FOR ENZYME-CATALYSED ALKYLATION Universität Basel (CH) 2024-02-21 EP disclosed
WO-2018075947-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF RNA VIRAL INFECTIONS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-04-26 WO disclosed