SCHEMBL11207773

SCHEMBL11207773

Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2Br)cc1Br

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
MTOR P42345 2/20 0.50
ALDH1A1 P00352 2/20 0.50
THRB P10828 1/20 0.50
MDM2 Q00987 1/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
GMNN O75496 1/20 0.50
TP53 P04637 1/20 0.50
NFKB1 P19838 1/20 0.50
DNMT1 P26358 1/20 0.50
THPO P40225 1/20 0.50
HTT P42858 1/20 0.50
RAB9A P51151 1/20 0.50
BLM P54132 1/20 0.50
HBB P68871 1/20 0.50
PMP22 Q01453 1/20 0.50
PYGM P11217 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 1/20 0.44

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
Hydrochloric Acid SCHEMBL10885537 0.99 LMNA (0.49) LMNAMTORALDH1A1THRBMDM2
Hydrochloric Acid SCHEMBL10885534 0.99 LMNA (0.49) LMNAMTORALDH1A1THRBMDM2
SCHEMBL2580878 0.90 LMNA (0.50) LMNAMTORALDH1A1THRBMDM2
SCHEMBL114751 0.90 LMNA (0.62) LMNAMTORALDH1A1THRBMDM2
SCHEMBL2584289 0.90 LMNA (0.62) LMNAMTORALDH1A1THRBMDM2
SCHEMBL114750 0.90 LMNA (0.62) LMNAMTORALDH1A1THRBMDM2
SCHEMBL11211730 0.87 LMNA (0.49) LMNAMTORALDH1A1THRBMDM2
SCHEMBL11208653 0.87 ALB (0.51) LMNAMTORALDH1A1THRBMDM2
SCHEMBL11208918 0.87 LMNA (0.49) LMNAMTORALDH1A1THRBMDM2
SCHEMBL11211781 0.87 LMNA (0.49) LMNAMTORALDH1A1THRBMDM2

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-0010205-B1 5-SUBSTITUTED 1-(2'-DEOXY-2'-SUBSTITUTED-BETA-D-ARABINOFURANOSYL) PYRIMIDINE NUCLEOSIDES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Sloan-Kettering Institute For Cancer Research (US) 1983-05-04 EP claimed