SCHEMBL31123742

SCHEMBL31123742

CC(C)(C)[Si](OC[C@@H]1O[C@@H](n2cc(I)c3c(Cl)ncnc32)[C@H](CC(=O)O)[C@@]1(C)CC(=O)O)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADK P55263 18/20 0.42
SLC29A1 Q99808 1/20 0.39
HASPIN Q8TF76 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
SCHEMBL31123769 0.86 PRMT5 (0.40)
SCHEMBL31123727 0.86 ADK (0.44) ADKSLC29A1HASPIN
SCHEMBL21682990 0.81 ADK (0.42) ADKSLC29A1HASPIN
SCHEMBL30003569 0.81 ADK (0.42) ADKSLC29A1HASPIN
SCHEMBL21682992 0.81 ADK (0.42) ADKSLC29A1HASPIN
SCHEMBL20337512 0.74 SMYD2 (0.34)
SCHEMBL21684438 0.73 ADK (0.41) ADKSLC29A1
SCHEMBL27195416 0.73 ADK (0.41) ADKSLC29A1
SCHEMBL31361742 0.73 ADK (0.41) ADKSLC29A1
SCHEMBL18297510 0.72 ADK (0.39) ADKSLC29A1

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