SCHEMBL8975253

SCHEMBL8975253

Nc1ncnc2c1c(I)cn2[C@@H]1O[C@@H](CCO)[C@@H](O)[C@H]1O

nearest known ligand 0.79

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADK P55263 18/20 0.79
HASPIN Q8TF76 1/20 0.64
SLC29A1 Q99808 1/20 0.62
DOT1L Q8TEK3 1/20 0.59
NPC1 O15118 1/20 0.59
GALR3 O60755 1/20 0.59
S1PR4 O95977 1/20 0.59
ALDH1A1 P00352 1/20 0.59
MAPT P10636 1/20 0.59
S1PR1 P21453 1/20 0.59
HTT P42858 1/20 0.59
RAB9A P51151 1/20 0.59
PAX8 Q06710 1/20 0.59

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
Iodotubercidin SCHEMBL12618424 0.91 ADK (0.83) ADKHASPINSLC29A1DOT1LNPC1
Iodotubercidin SCHEMBL29375718 0.91 ADK (0.83) ADKHASPINSLC29A1DOT1LNPC1
Iodotubercidin SCHEMBL29383008 0.91 ADK (0.83) ADKHASPINSLC29A1DOT1LNPC1
Iodotubercidin SCHEMBL319225 0.91 ADK (0.83) ADKHASPINSLC29A1DOT1LNPC1
Iodotubercidin SCHEMBL12652819 0.91 ADK (0.83) ADKHASPINSLC29A1DOT1LNPC1
Iodotubercidin SCHEMBL2786488 0.91 ADK (0.83) ADKHASPINSLC29A1DOT1LNPC1
Iodotubercidin SCHEMBL8328935 0.91 ADK (0.83) ADKHASPINSLC29A1DOT1LNPC1
Iodotubercidin SCHEMBL16978206 0.91 ADK (0.83) ADKHASPINSLC29A1DOT1LNPC1
Iodotubercidin SCHEMBL13021361 0.91 ADK (0.83) ADKHASPINSLC29A1DOT1LNPC1
Iodotubercidin SCHEMBL12505209 0.91 ADK (0.83) ADKHASPINSLC29A1DOT1LNPC1

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-5506347-A ADENOSINE KINASE INHIBITOR GENSIA, INC. (US) 1996-04-09 US disclosed