SCHEMBL30159404

SCHEMBL30159404

Nc1ccc2ccc(C3C[C@H]3C3CCC(O)C3O)cc2n1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.39
NCF1 P14598 4/20 0.33
NCK1 P16333 1/20 0.33
NOS2 P35228 1/20 0.33
METTL3 Q86U44 4/20 0.32
PLAU P00749 1/20 0.31
PRMT5 O14744 2/20 0.31
WDR77 Q9BQA1 1/20 0.31

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
SCHEMBL24954184 0.68 METTL3 (0.39) METTL3PRMT5WDR77
SCHEMBL24954215 0.68 METTL3 (0.39) METTL3PRMT5WDR77
SCHEMBL30159529 0.67 BACE1 (0.37) BACE1NCF1NCK1NOS2METTL3
SCHEMBL30159566 0.66 METTL3 (0.50) METTL3PRMT5WDR77
SCHEMBL30159329 0.65 PRMT5 (0.51) BACE1NCF1NOS2METTL3PLAU
SCHEMBL30159412 0.65 METTL3 (0.52) NCF1METTL3PRMT5WDR77
SCHEMBL4502570 0.59 BACE1 (0.73) BACE1NCF1NOS2PLAU
SCHEMBL30499285 0.59 BACE1 (0.57) BACE1NCF1NCK1NOS2PLAU
SCHEMBL11973788 0.59 BACE1 (0.57) BACE1NCF1NCK1NOS2PLAU
SCHEMBL7049649 0.59 BACE1 (0.73) BACE1NCF1NCK1NOS2PLAU

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