SCHEMBL9840726

SCHEMBL9840726

NCC#Cc1cn([C@H]2CC(O)[C@@H](CO)O2)c(=O)nc1N

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DNMT1 P26358 8/20 0.56
▸ ADRB1 P08588 1/20 0.56
▸ DNMT3B Q9UBC3 3/20 0.49
▸ LMNA P02545 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ PNP P00491 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ RXFP1 Q9HBX9 1/20 0.44
▸ FPR2 P25090 2/20 0.44
▸ TK1 P04183 1/20 0.43

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
SCHEMBL8755221 1.00 DNMT1 (0.56) DNMT1ADRB1DNMT3BLMNASMN1; SMN2
SCHEMBL7222104 0.92 DNMT1 (0.56) DNMT1ADRB1DNMT3BLMNASMN1; SMN2
SCHEMBL7222108 0.92 DNMT1 (0.56) DNMT1ADRB1DNMT3BLMNASMN1; SMN2
SCHEMBL13823328 0.91 DNMT1 (0.55) DNMT1ADRB1DNMT3BLMNASMN1; SMN2
SCHEMBL10015665 0.89 DNMT1 (0.53) DNMT1ADRB1DNMT3BLMNASMN1; SMN2
SCHEMBL25492471 0.88 DNMT1 (0.57) DNMT1ADRB1DNMT3BLMNASMN1; SMN2
SCHEMBL149389 0.88 DNMT1 (0.57) DNMT1ADRB1DNMT3BLMNASMN1; SMN2
SCHEMBL442211 0.88 DNMT1 (0.57) DNMT1ADRB1DNMT3BLMNASMN1; SMN2
SCHEMBL5983092 0.88 DNMT1 (0.57) DNMT1ADRB1DNMT3BLMNASMN1; SMN2
SCHEMBL5983084 0.88 DNMT1 (0.57) DNMT1ADRB1DNMT3BLMNASMN1; SMN2

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
US-20130280700-A1 FOUR-COLOR DNA SEQUENCING BY SYNTHESIS USING CLEAVABLE FLUORESCENT NUCLEOTIDE REVERSIBLE TERMINATORS THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2013-10-24 — — US disclosed
US-5047519-A Alkynylamino-nucleotides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-09-10 — — US disclosed
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