SCHEMBL25048433

SCHEMBL25048433

CN(CCCNCCc1ccccc1)C[C@H]1C[C@@H](n2cc(-c3cc(Cc4ccccc4)cs3)c3cncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 11/20 0.38
▸ DOT1L Q8TEK3 1/20 0.32
▸ METTL3 Q86U44 4/20 0.31
▸ CA2 P00918 1/20 0.31
▸ WDR77 Q9BQA1 4/20 0.30
▸ NNMT P40261 1/20 0.30

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
SCHEMBL30941041 1.00 PRMT5 (0.38) PRMT5DOT1LMETTL3CA2WDR77
SCHEMBL25046817 0.89 PRMT5 (0.39) PRMT5METTL3CA2WDR77
SCHEMBL30940748 0.89 PRMT5 (0.39) PRMT5METTL3CA2WDR77
SCHEMBL30941315 0.86 PRMT5 (0.39) PRMT5METTL3CA2WDR77
SCHEMBL25048890 0.86 PRMT5 (0.39) PRMT5METTL3CA2WDR77
SCHEMBL25048432 0.84 PRMT5 (0.37) PRMT5METTL3WDR77
SCHEMBL30940842 0.84 PRMT5 (0.37) PRMT5METTL3WDR77
SCHEMBL31617946 0.81 PRMT5 (0.33) PRMT5CA2
SCHEMBL30941308 0.81 PRMT5 (0.39) PRMT5METTL3CA2WDR77
SCHEMBL30941043 0.79 PRMT5 (0.33) PRMT5

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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