SCHEMBL31123727

SCHEMBL31123727

C[C@]1(CC(=O)O)[C@H](COC(=O)c2ccccc2)O[C@@H](n2cc(I)c3c(Cl)ncnc32)[C@@H]1CC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADK P55263 14/20 0.44
SLC29A1 Q99808 1/20 0.41
LMNA P02545 1/20 0.35
HASPIN Q8TF76 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32

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
SCHEMBL31123788 0.86 PRMT5 (0.42) LMNAALDH1A1PRMT5WDR77
SCHEMBL31123742 0.86 ADK (0.42) ADKSLC29A1HASPIN
SCHEMBL31123702 0.83 ALDH1A1 (0.34) ALDH1A1
SCHEMBL25109983 0.80 ADK (0.44) ADKSLC29A1LMNAHASPINALDH1A1
SCHEMBL30003568 0.80 ADK (0.44) ADKSLC29A1LMNAHASPINALDH1A1
SCHEMBL2787845 0.76 ADK (0.52) ADKSLC29A1LMNAALDH1A1
SCHEMBL18595659 0.76 ADK (0.52) ADKSLC29A1LMNAALDH1A1
SCHEMBL13021362 0.76 ADK (0.52) ADKSLC29A1LMNAALDH1A1
SCHEMBL12374608 0.76 ADK (0.52) ADKSLC29A1LMNAALDH1A1
SCHEMBL30050679 0.76 ADK (0.52) ADKSLC29A1LMNAALDH1A1

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
CN-112805006-B PRMT5 inhibitors 默沙东有限责任公司 2024-09-24 CN disclosed