SCHEMBL7222104

SCHEMBL7222104

Nc1nc(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1C#CCS

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
SCHEMBL7222108 1.00 DNMT1 (0.56) DNMT1ADRB1DNMT3BLMNASMN1; SMN2
Phosphoric Acid SCHEMBL8417569 0.96 DNMT1 (0.53) DNMT1ADRB1DNMT3BFPR2
SCHEMBL9840726 0.92 DNMT1 (0.56) DNMT1ADRB1DNMT3BLMNASMN1; SMN2
SCHEMBL8755221 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
SCHEMBL5983092 0.88 DNMT1 (0.57) DNMT1ADRB1DNMT3BLMNASMN1; SMN2
SCHEMBL442211 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-6627456-B1 Incorporating into the oligonucleotide analogs that are the components of a library to which in vitro selection methods functionalized standard and non-standard nucleotides, and incorporating functionalized cofactors into the experiment BENNER, STEVEN 2003-09-30 — — US disclosed
US-5965364-A Method for selecting functional deoxyribonucleotide derivatives BENNER, STEVEN 1999-10-12 — — US disclosed
Send feedback