SCHEMBL4199979

SCHEMBL4199979

Nc1nc(=O)[nH]cc1Br.OC[C@H]1OC[C@H](O)[C@@H]1O

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNP P00491 2/20 0.32
DNMT1 P26358 2/20 0.32
ADRB1 P08588 1/20 0.32
LMNA P02545 3/20 0.30
MTOR P42345 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
ALDH1A1 P00352 2/20 0.30
THRB P10828 1/20 0.30
MDM2 Q00987 1/20 0.30
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30
POLB P06746 1/20 0.30
GMNN O75496 1/20 0.30
TP53 P04637 1/20 0.30
NFKB1 P19838 1/20 0.30
THPO P40225 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
BLM P54132 1/20 0.30
HBB P68871 1/20 0.30

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
Flucytosine SCHEMBL4201130 0.86 ALB (0.32) DNMT1ADRB1LMNAMTORSMN1; SMN2
SCHEMBL4208334 0.80 ADORA2A (0.31)
Cytosine SCHEMBL4198774 0.79 LMNA (0.38) PNPDNMT1ADRB1LMNAMTOR
5-Bromouracil SCHEMBL4201154 0.75 PYGM (0.39) PNPLMNAMTORSMN1; SMN2ALDH1A1
SCHEMBL4198780 0.75
SCHEMBL64109 0.74
SCHEMBL10422311 0.73 PNP (0.31) PNP
SCHEMBL10340290 0.73 DPP4 (0.31) LMNASMN1; SMN2
SCHEMBL9229401 0.71 ALDH1A1 (0.37) LMNASMN1; SMN2ALDH1A1
SCHEMBL15602792 0.69 PDPK1 (0.40)

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-7608402-B2 DNA methylation specific signal amplification LI WEIWEI 2009-10-27 US disclosed
US-20090181373-A1 DNA methylation specific signal amplification LI WEIWEI 2009-07-16 US disclosed