SCHEMBL8975829

SCHEMBL8975829

OCC[C@@H]1O[C@@H](n2cc(Br)c3c(Cl)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.69

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADK P55263 15/20 0.69
SLC29A1 Q99808 1/20 0.62
METTL3 Q86U44 1/20 0.49
DOT1L Q8TEK3 2/20 0.47
PRMT5 O14744 1/20 0.47
PRMT3 O60678 1/20 0.47
DNMT1 P26358 1/20 0.47
NNMT P40261 1/20 0.47

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
SCHEMBL23273898 0.91 ADK (0.75) ADKSLC29A1DOT1L
SCHEMBL8331463 0.91 ADK (0.75) ADKSLC29A1DOT1L
SCHEMBL8332145 0.88 ADK (0.72) ADKSLC29A1METTL3DOT1LPRMT5
SCHEMBL24293656 0.87 ADK (0.64) ADKSLC29A1METTL3DOT1LPRMT5
SCHEMBL8330784 0.86 ADK (0.83) ADKSLC29A1
SCHEMBL8330487 0.84 ADK (0.77) ADKSLC29A1METTL3PRMT5
SCHEMBL8330489 0.84 ADK (0.77) ADKSLC29A1METTL3PRMT5
SCHEMBL8325888 0.81 ADK (1.00) ADKSLC29A1
SCHEMBL8331019 0.81 ADK (1.00) ADKSLC29A1
SCHEMBL24293687 0.78 ADK (0.69) ADKSLC29A1METTL3

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