SCHEMBL8975530

SCHEMBL8975530

COC[C@H]1O[C@@H](n2cc(Br)c3c(N)ncnc32)[C@@H](O)[C@H]1O

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADK P55263 11/20 0.78
METTL3 Q86U44 6/20 0.66
PRMT5 O14744 4/20 0.63
DOT1L Q8TEK3 2/20 0.59
PRMT3 O60678 1/20 0.59
DNMT1 P26358 1/20 0.59
NNMT P40261 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
SCHEMBL8330661 0.88 ADK (1.00) ADKMETTL3PRMT5DOT1LPRMT3
SCHEMBL8523600 0.87 ADK (1.00) ADKDOT1L
SCHEMBL8523598 0.87 ADK (1.00) ADKDOT1L
SCHEMBL8330489 0.87 ADK (0.77) ADKMETTL3PRMT5
SCHEMBL8330487 0.87 ADK (0.77) ADKMETTL3PRMT5
SCHEMBL2786440 0.86 ADK (0.83) ADKMETTL3PRMT5DOT1LPRMT3
SCHEMBL20419159 0.86 ADK (0.83) ADKMETTL3PRMT5DOT1LPRMT3
SCHEMBL20938185 0.86 ADK (0.83) ADKMETTL3PRMT5DOT1LPRMT3
SCHEMBL30800099 0.86 ADK (0.83) ADKMETTL3PRMT5DOT1LPRMT3
SCHEMBL20419187 0.86 ADK (0.83) ADKMETTL3PRMT5DOT1LPRMT3

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