SCHEMBL17612288

SCHEMBL17612288

O=c1ccn([C@H]2O[C@@H](CO)[C@@H](O)C2I)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.44
CDA P32320 1/20 0.44
LMNA P02545 5/20 0.41
ALDH1A1 P00352 3/20 0.41
MTOR P42345 2/20 0.41
THPO P40225 2/20 0.41
PMP22 Q01453 2/20 0.41
TP53 P04637 2/20 0.41
HTT P42858 2/20 0.41
BLM P54132 2/20 0.41
THRB P10828 1/20 0.41
MDM2 Q00987 1/20 0.41
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
GMNN O75496 1/20 0.41
NFKB1 P19838 1/20 0.41
DNMT1 P26358 1/20 0.41
RAB9A P51151 1/20 0.41
HBB P68871 1/20 0.41
SLC28A1 O00337 1/20 0.40

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
SCHEMBL7033026 0.88 MAPT (0.53) MAPTCDALMNAALDH1A1MTOR
SCHEMBL5954124 0.88 MAPT (0.53) MAPTCDALMNAALDH1A1MTOR
SCHEMBL10243962 0.88 MAPT (0.53) MAPTCDALMNAALDH1A1MTOR
SCHEMBL14570585 0.88 MAPT (0.53) MAPTCDALMNAALDH1A1MTOR
SCHEMBL31685424 0.72 ADRB1 (0.52) LMNATP53HTTDNMT1SMN1; SMN2
SCHEMBL18237107 0.70 ADORA2A (0.46) SLC29A1ADORA1
SCHEMBL23813589 0.69 LMNA (0.79) MAPTCDALMNAALDH1A1MTOR
SCHEMBL6049698 0.69 LMNA (0.79) MAPTCDALMNAALDH1A1MTOR
SCHEMBL6049693 0.69 LMNA (0.79) MAPTCDALMNAALDH1A1MTOR
SCHEMBL15798780 0.69 LMNA (0.79) MAPTCDALMNAALDH1A1MTOR

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
US-9290533-B2 β-L-2′-deoxy-nucleosides for the treatment of hepatitis B NOVARTIS AG (CH) 2016-03-22 US disclosed