SCHEMBL25048518

SCHEMBL25048518

CCc1cn([C@@H]2C[C@H](CNCCCNCCc3ccccc3)[C@@H](O)[C@H]2O)c2ncncc12

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 13/20 0.40
▸ METTL3 Q86U44 3/20 0.35
▸ WDR77 Q9BQA1 1/20 0.34
▸ CA2 P00918 2/20 0.34
▸ SIGMAR1 Q99720 1/20 0.33

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
SCHEMBL30941156 1.00 PRMT5 (0.40) PRMT5METTL3WDR77CA2SIGMAR1
SCHEMBL30940860 0.88 PRMT5 (0.41) PRMT5METTL3WDR77
SCHEMBL30941198 0.86 PRMT5 (0.41) PRMT5METTL3WDR77CA2
SCHEMBL25048521 0.86 PRMT5 (0.41) PRMT5METTL3WDR77CA2
SCHEMBL30941404 0.85 METTL3 (0.39) PRMT5METTL3CA2
SCHEMBL25048522 0.85 METTL3 (0.39) PRMT5METTL3CA2
SCHEMBL25048505 0.84 CA2 (0.40) PRMT5METTL3CA2
SCHEMBL25048822 0.84 METTL3 (0.49) PRMT5METTL3WDR77CA2
SCHEMBL31618064 0.84 METTL3 (0.49) PRMT5METTL3WDR77CA2
SCHEMBL30941392 0.84 METTL3 (0.49) PRMT5METTL3WDR77CA2

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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