SCHEMBL21550149

SCHEMBL21550149

CNC(=O)OC(C)(C)Cc1cc(=O)n(C)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
AAK1 Q2M2I8 2/20 0.32
HIF1A Q16665 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
SCHEMBL20157334 0.80 PRMT5 (0.48) PRMT5WDR77AAK1HIF1A
SCHEMBL28900799 0.79 ALDH1A1 (0.35) PRMT5WDR77
SCHEMBL21351864 0.77 PRMT5 (0.32) PRMT5WDR77AAK1HIF1A
SCHEMBL21354493 0.76 HIF1A (0.32) PRMT5WDR77HIF1A
SCHEMBL20520066 0.75 ATAD2 (0.37) PRMT5WDR77HIF1A
SCHEMBL21550013 0.74 ACHE (0.33) PRMT5WDR77AAK1
SCHEMBL21550012 0.73 AAK1 (0.38) PRMT5WDR77AAK1HIF1A
SCHEMBL28474075 0.73 BAZ2B (0.33)
SCHEMBL21352096 0.71 HIF1A (0.30) HIF1A
SCHEMBL18301350 0.69 ATAD2 (0.36)

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-2019214399-A1 BENZO- SEVEN-MEMBERED HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF 罗欣药业(上海)有限公司 (CN) 2019-11-14 WO disclosed