SCHEMBL30159529

SCHEMBL30159529

Nc1ccc2ccc(/C=C/C3CCC(O)C3O)cc2n1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.37
PRMT5 O14744 1/20 0.37
WDR77 Q9BQA1 1/20 0.37
NCF1 P14598 5/20 0.33
NOS2 P35228 1/20 0.33
PLAU P00749 1/20 0.32
NCK1 P16333 1/20 0.30
METTL3 Q86U44 1/20 0.30

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
SCHEMBL30159268 0.83 PRMT5 (0.35) PRMT5WDR77
SCHEMBL30159566 0.67 METTL3 (0.50) PRMT5WDR77METTL3
SCHEMBL30159404 0.67 BACE1 (0.39) BACE1PRMT5WDR77NCF1NOS2
SCHEMBL24954048 0.67 PRMT5 (0.52) PRMT5WDR77METTL3
SCHEMBL30159329 0.66 PRMT5 (0.51) BACE1PRMT5NCF1NOS2PLAU
SCHEMBL30159412 0.66 METTL3 (0.52) PRMT5WDR77NCF1METTL3
SCHEMBL28227079 0.66 BACE1 (0.52) BACE1NCF1NOS2PLAUNCK1
SCHEMBL11973788 0.60 BACE1 (0.57) BACE1NCF1NOS2PLAUNCK1
SCHEMBL24954263 0.60 BACE1 (0.57) BACE1NCF1NOS2PLAUNCK1
SCHEMBL4502570 0.60 BACE1 (0.73) BACE1NCF1NOS2PLAU

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
WO-2023001133-A1 PRMT5 INHIBITOR 上海齐鲁制药研究中心有限公司 2023-01-26 WO disclosed