SCHEMBL28438039

SCHEMBL28438039

CC1(C)O[C@H]2[C@H](n3ccc4cncnc43)O[C@](C)(Cc3ccc4c(c3)OCO4)[C@@H]2O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 3/20 0.43
▸ WDR77 Q9BQA1 2/20 0.43
▸ CLK1 P49759 1/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ CLK4 Q9HAZ1 1/20 0.33
▸ DYRK1B Q9Y463 1/20 0.33
▸ HSP90AA1 P07900 2/20 0.32
▸ HSP90AB1 P08238 1/20 0.32
▸ KDM4E B2RXH2 5/20 0.32
▸ MAPT P10636 5/20 0.32
▸ ALDH1A1 P00352 4/20 0.32
▸ TSHR P16473 4/20 0.32
▸ MAPK1 P28482 3/20 0.32
▸ HSD17B10 Q99714 3/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ RXFP1 Q9HBX9 2/20 0.32
▸ PDE9A O76083 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
SCHEMBL28438103 0.86 PRMT5 (0.59) PRMT5WDR77
SCHEMBL20721584 0.80 PRMT5 (0.52) PRMT5WDR77CLK1CLK2DYRK1A
SCHEMBL29391785 0.80 PRMT5 (0.52) PRMT5WDR77CLK1CLK2DYRK1A
SCHEMBL20721580 0.76 PRMT5 (0.73) PRMT5WDR77
SCHEMBL29391889 0.76 PRMT5 (0.73) PRMT5WDR77
SCHEMBL28442864 0.70 PRMT5 (0.48) PRMT5WDR77
SCHEMBL22522086 0.68 PRMT5 (0.45) PRMT5WDR77CLK4HSP90AA1HSP90AB1
SCHEMBL21061562 0.66 PRMT5 (0.37) PRMT5WDR77
SCHEMBL20721514 0.65 PRMT5 (0.72) PRMT5WDR77
SCHEMBL20721601 0.65 PRMT5 (0.58) PRMT5WDR77HSP90AA1KDM4EMAPT

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-111527099-A Selective inhibitors of protein arginine methyltransferase 5(PRMT5) 普莱鲁德疗法有限公司 2020-08-11 — — CN disclosed
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