SCHEMBL8639294

SCHEMBL8639294

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 9/20 0.50
ADRB1 P08588 1/20 0.50
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
MTOR P42345 2/20 0.39
GMNN O75496 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NFKB1 P19838 1/20 0.39
THPO P40225 1/20 0.39
RAB9A P51151 1/20 0.39
BLM P54132 1/20 0.39
HBB P68871 1/20 0.39
PMP22 Q01453 1/20 0.39
FPR2 P25090 2/20 0.38
PNP P00491 1/20 0.36
PDE4D Q08499 1/20 0.36
PDE3A Q14432 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
SCHEMBL198512 0.87 DNMT1 (0.63) DNMT1ADRB1DNMT3BLMNATP53
SCHEMBL5982343 0.87 DNMT1 (0.63) DNMT1ADRB1DNMT3BLMNATP53
SCHEMBL12731448 0.87 DNMT1 (0.63) DNMT1ADRB1DNMT3BLMNATP53
SCHEMBL5982335 0.87 DNMT1 (0.63) DNMT1ADRB1DNMT3BLMNATP53
SCHEMBL197813 0.87 DNMT1 (0.63) DNMT1ADRB1DNMT3BLMNATP53
SCHEMBL8638774 0.86 DNMT1 (0.50) DNMT1ADRB1ALBDNMT3BLMNA
SCHEMBL3246049 0.86 ALB (0.60) DNMT1ADRB1ALBDNMT3BLMNA
SCHEMBL20718843 0.86 ALB (0.60) DNMT1ADRB1ALBDNMT3BLMNA
SCHEMBL9856645 0.86 DNMT1 (0.47) DNMT1ADRB1ALBDNMT3BLMNA
SCHEMBL8642312 0.86 DNMT1 (0.50) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5814639-A TREATING AIDS EMORY UNIVERSITY (US) 1998-09-29 US disclosed
US-5700937-A LIPOSOME SUSPENSION FOR TREATMENT OF AIDS EMORY UNIVERSITY (US) 1997-12-23 US disclosed
US-5210085-A Treating HIV infections EMORY UNIVERSITY (US) 1993-05-11 US disclosed