SCHEMBL2829515

SCHEMBL2829515

CCCSC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 6/20 0.82
DNMT3B Q9UBC3 3/20 0.82
PNMT P11086 2/20 0.82
DNMT1 P26358 2/20 0.82
PRMT7 Q9NVM4 3/20 0.79
AHCY P23526 3/20 0.76
NADK O95544 1/20 0.76
ADORA3 P0DMS8 1/20 0.74
PRMT5 O14744 3/20 0.73
WDR77 Q9BQA1 2/20 0.73
CARM1 Q86X55 2/20 0.72
EHMT2 Q96KQ7 2/20 0.72
TRDMT1 O14717 1/20 0.72
SUV39H1 O43463 1/20 0.72
PRMT3 O60678 1/20 0.72
INMT O95050 1/20 0.72
NSD2 O96028 1/20 0.72
NNMT P40261 1/20 0.72
HNMT P50135 1/20 0.72
WDR5 P61964 1/20 0.72

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
SCHEMBL2829520 1.00 DOT1L (0.82) DOT1LDNMT3BPNMTDNMT1PRMT7
SCHEMBL30216716 0.94 DOT1L (0.83) DOT1LDNMT3BPNMTDNMT1PRMT7
SCHEMBL6897966 0.94 DOT1L (0.83) DOT1LDNMT3BPNMTDNMT1PRMT7
SCHEMBL4884765 0.93 DOT1L (0.81) DOT1LDNMT3BPNMTDNMT1PRMT7
SCHEMBL998091 0.91 AHCY (0.79) DOT1LDNMT3BPNMTDNMT1PRMT7
SCHEMBL2115821 0.91 AHCY (0.79) DOT1LDNMT3BPNMTDNMT1PRMT7
SCHEMBL14174635 0.90 DOT1L (1.00) DOT1LDNMT3BPNMTDNMT1PRMT7
SCHEMBL5055464 0.90 DOT1L (1.00) DOT1LDNMT3BPNMTDNMT1PRMT7
SCHEMBL1490901 0.90 DOT1L (0.84) DOT1LDNMT3BPNMTDNMT1PRMT7
SCHEMBL16272276 0.90 DOT1L (1.00) DOT1LDNMT3BPNMTDNMT1PRMT7

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 9 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
EP-1874790-B1 NEW S-ADENOSYL-L-METHIONINE ANALOGS WITH EXTENDED ACTIVATED GROUPS FOR TRANSFER BY METHYLTRANSFERASES RWTH AACHEN (DE) 2010-08-18 EP disclosed
EP-1874790-A2 NEW S-ADENOSYL-L-METHIONINE ANALOGS WITH EXTENDED ACTIVATED GROUPS FOR TRANSFER BY METHYLTRANSFERASES RWTH Aachen (DE) 2008-01-09 EP disclosed
WO-2006108678-A2 NEW S-ADENOSYL-L-METHIONINE ANALOGS WITH EXTENDED ACTIVATED GROUPS FOR TRANSFER BY METHYLTRANSFERASES RWTH AACHEN (DE) 2006-10-19 WO disclosed
EP-1712557-A1 New s-adenosyl-L-methionine analogues with extended activated groups for transfer by methyltransferases RWTH Aachen (DE) 2006-10-18 EP disclosed
EP-0233031-B1 METHYLTHIORIBOSE ANALOGUES, THEIR PREPARATION AND USE AS MEDICINAL AGENTS AND BIOCIDES STATE OF OREGON BY AND THROUGH OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OREGON HEALTH SC. UNIV. AND OREGON STATE UNIV. (US) 1993-04-07 EP disclosed
US-4820692-A PARASITICIDES, FUNGICIDES STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND OREGON STATE UNIVERSITY (US) 1989-04-11 US disclosed
EP-0233031-A2 Methylthioribose analogues, their preparation and use as medicinal agents and biocides STATE OF OREGON BY AND THROUGH OREGON STATE BOARD OF HIGHER EDUCATION ON BEHALF OREGON HEALTH SC. UNIV. AND OREGON STATE UNIV. (US) 1987-08-19 EP disclosed