SCHEMBL30752950

SCHEMBL30752950

CN(C)Cc1n[nH]c(=O)c2c(OCC3(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC3)cc(Br)cc12

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.34
▸ PARP1 P09874 8/20 0.32
▸ TNKS O95271 3/20 0.32
▸ TNKS2 Q9H2K2 3/20 0.32
▸ PRMT5 O14744 1/20 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
SCHEMBL30752833 0.84 PRMT5 (0.46) PARP1TNKSTNKS2PRMT5WDR77
SCHEMBL29915218 0.76 POLB (0.46) POLBPARP1PRMT5WDR77
SCHEMBL27002563 0.76 POLB (0.46) POLBPARP1PRMT5WDR77
SCHEMBL25581275 0.72 ADORA1 (0.38) POLBPARP1PRMT5WDR77
SCHEMBL25581278 0.71 ADORA1 (0.33) POLBPRMT5WDR77
SCHEMBL27002444 0.71 AR (0.34) POLBPARP1PRMT5WDR77
SCHEMBL30753085 0.69 PRMT5 (0.35) PRMT5WDR77
SCHEMBL27385996 0.69 PRMT5 (0.48) PARP1PRMT5WDR77
SCHEMBL25581297 0.69 PRMT5 (0.36) PRMT5WDR77
SCHEMBL25218581 0.68 ADORA1 (0.31) PRMT5WDR77

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-2024027703-A1 PRMT5 INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海艾力斯医药科技股份有限公司 2024-02-08 — — WO disclosed
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