SCHEMBL25048822

SCHEMBL25048822

CCc1cn([C@@H]2C[C@H](CNCCCNCCc3ccccc3)[C@@H](O)[C@H]2O)c2ncnc(N)c12

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 15/20 0.49
▸ CA2 P00918 2/20 0.44
▸ PRMT5 O14744 4/20 0.43
▸ AHCY P23526 1/20 0.40
▸ WDR77 Q9BQA1 1/20 0.40

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
SCHEMBL30941392 1.00 METTL3 (0.49) METTL3CA2PRMT5AHCYWDR77
SCHEMBL31618064 1.00 METTL3 (0.49) METTL3CA2PRMT5AHCYWDR77
SCHEMBL31618069 0.93 METTL3 (0.50) METTL3CA2PRMT5AHCY
SCHEMBL25048766 0.93 METTL3 (0.50) METTL3CA2PRMT5AHCY
SCHEMBL30940736 0.91 METTL3 (0.47) METTL3CA2PRMT5
SCHEMBL25048394 0.91 METTL3 (0.47) METTL3CA2PRMT5
SCHEMBL25048522 0.91 METTL3 (0.39) METTL3CA2PRMT5
SCHEMBL30941404 0.91 METTL3 (0.39) METTL3CA2PRMT5
SCHEMBL25048505 0.90 CA2 (0.40) METTL3CA2PRMT5
SCHEMBL25046806 0.90 METTL3 (0.54) METTL3CA2PRMT5

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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