SCHEMBL11208653

SCHEMBL11208653

Nc1nc(=O)n([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2Br)cc1F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.51
LMNA P02545 4/20 0.49
MTOR P42345 2/20 0.49
ALDH1A1 P00352 2/20 0.49
THRB P10828 1/20 0.49
MDM2 Q00987 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49
GMNN O75496 1/20 0.49
TP53 P04637 1/20 0.49
NFKB1 P19838 1/20 0.49
DNMT1 P26358 1/20 0.49
THPO P40225 1/20 0.49
HTT P42858 1/20 0.49
RAB9A P51151 1/20 0.49
BLM P54132 1/20 0.49
HBB P68871 1/20 0.49
PMP22 Q01453 1/20 0.49
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 SCHEMBL10886613 0.99 ALB (0.50) ALBLMNAMTORALDH1A1THRB
Hydrochloric Acid SCHEMBL10886607 0.99 ALB (0.50) ALBLMNAMTORALDH1A1THRB
SCHEMBL2585673 0.91 ALB (0.51) ALBLMNAMTORALDH1A1THRB
SCHEMBL207772 0.89 LMNA (0.62) ALBLMNAMTORALDH1A1THRB
SCHEMBL21423108 0.89 LMNA (0.62) ALBLMNAMTORALDH1A1THRB
SCHEMBL5697575 0.89 LMNA (0.62) ALBLMNAMTORALDH1A1THRB
SCHEMBL547089 0.89 LMNA (0.62) ALBLMNAMTORALDH1A1THRB
SCHEMBL1230711 0.89 LMNA (0.62) ALBLMNAMTORALDH1A1THRB
SCHEMBL16805415 0.89 LMNA (0.62) ALBLMNAMTORALDH1A1THRB
SCHEMBL4286246 0.89 LMNA (0.62) ALBLMNAMTORALDH1A1THRB

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