SCHEMBL25048890

SCHEMBL25048890

O[C@@H]1[C@@H](CNCCCNCCc2ccc(F)cc2)C[C@@H](n2cc(-c3cc(Cc4ccccc4)cs3)c3cncnc32)[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 14/20 0.39
▸ METTL3 Q86U44 3/20 0.33
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ WDR77 Q9BQA1 4/20 0.32
▸ CA2 P00918 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
SCHEMBL30941315 1.00 PRMT5 (0.39) PRMT5METTL3SLC6A2SLC6A4SLC6A3
SCHEMBL25046817 0.97 PRMT5 (0.39) PRMT5METTL3WDR77CA2
SCHEMBL30940748 0.97 PRMT5 (0.39) PRMT5METTL3WDR77CA2
SCHEMBL30940842 0.94 PRMT5 (0.37) PRMT5METTL3WDR77
SCHEMBL25048432 0.94 PRMT5 (0.37) PRMT5METTL3WDR77
SCHEMBL25048433 0.86 PRMT5 (0.38) PRMT5METTL3WDR77CA2
SCHEMBL30941041 0.86 PRMT5 (0.38) PRMT5METTL3WDR77CA2
SCHEMBL30941043 0.86 PRMT5 (0.33) PRMT5
SCHEMBL25048561 0.85 PRMT5 (0.36) PRMT5CA2
SCHEMBL30941105 0.85 PRMT5 (0.36) PRMT5CA2

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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