SCHEMBL9856645

SCHEMBL9856645

Nc1nc(=O)n([C@H]2CC(Cl)[C@@H](CO)O2)cc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 9/20 0.47
ADRB1 P08588 1/20 0.47
ALB P02768 1/20 0.43
DNMT3B Q9UBC3 3/20 0.42
LMNA P02545 3/20 0.39
TP53 P04637 2/20 0.39
HTT P42858 2/20 0.39
PNP P00491 1/20 0.39
PDE4D Q08499 1/20 0.39
PDE3A Q14432 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
FPR2 P25090 2/20 0.38
MTOR P42345 2/20 0.36
THRB P10828 1/20 0.36
MDM2 Q00987 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
GMNN O75496 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL9856650 1.00 DNMT1 (0.47) DNMT1ADRB1ALBDNMT3BLMNA
SCHEMBL198512 0.87 DNMT1 (0.63) DNMT1ADRB1DNMT3BLMNATP53
SCHEMBL197813 0.87 DNMT1 (0.63) DNMT1ADRB1DNMT3BLMNATP53
SCHEMBL12731448 0.87 DNMT1 (0.63) DNMT1ADRB1DNMT3BLMNATP53
SCHEMBL5982335 0.87 DNMT1 (0.63) DNMT1ADRB1DNMT3BLMNATP53
SCHEMBL5982343 0.87 DNMT1 (0.63) DNMT1ADRB1DNMT3BLMNATP53
SCHEMBL8639294 0.86 DNMT1 (0.50) DNMT1ADRB1ALBDNMT3BLMNA
SCHEMBL445990 0.86 DNMT1 (0.47) DNMT1ADRB1ALBDNMT3BLMNA
SCHEMBL445989 0.86 DNMT1 (0.47) DNMT1ADRB1ALBDNMT3BLMNA
SCHEMBL13700625 0.86 DNMT1 (0.47) DNMT1ADRB1ALBDNMT3BLMNA

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
EP-0409227-A2 Pyrimidine nucleosides, their preparation and pharmaceutical preparations MATTHES, Eckart, Dr. (DE) 1991-01-23 EP disclosed