SCHEMBL25049154

SCHEMBL25049154

CC1(C)O[C@@H]2[C@H](O1)[C@@H](c1cccc(-c3cnsc3)c1)C[C@H]2n1ccc2c(Cl)ncnc21

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 6/20 0.33
▸ WDR77 Q9BQA1 6/20 0.33
▸ NNMT P40261 9/20 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
SCHEMBL30941334 1.00 PRMT5 (0.33) PRMT5WDR77NNMT
SCHEMBL25048173 0.90 — —
SCHEMBL30941064 0.90 — —
SCHEMBL31618021 0.88 BACE1 (0.35) PRMT5WDR77NNMT
SCHEMBL25047426 0.85 PRMT5 (0.35) PRMT5WDR77NNMT
SCHEMBL25046608 0.84 NNMT (0.36) PRMT5WDR77NNMT
SCHEMBL25047832 0.81 NNMT (0.42) PRMT5WDR77NNMT
SCHEMBL31618096 0.81 MCL1 (0.31) —
SCHEMBL25046742 0.81 MCL1 (0.31) —
SCHEMBL25049250 0.79 BACE1 (0.36) 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-2023017152-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2023-02-16 — — WO disclosed
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