SCHEMBL25048515

SCHEMBL25048515

O[C@@H]1[C@@H](CNCCCNCCc2ccccc2)C[C@@H](n2cc(-c3[nH]ncc3Cl)c3cncnc32)[C@@H]1O

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 14/20 0.44
▸ CA2 P00918 1/20 0.34
▸ WDR77 Q9BQA1 3/20 0.32
▸ METTL3 Q86U44 3/20 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
SCHEMBL30940860 0.83 PRMT5 (0.41) PRMT5WDR77METTL3
SCHEMBL25048521 0.82 PRMT5 (0.41) PRMT5CA2WDR77METTL3
SCHEMBL30941198 0.82 PRMT5 (0.41) PRMT5CA2WDR77METTL3
SCHEMBL30941156 0.81 PRMT5 (0.40) PRMT5CA2WDR77METTL3
SCHEMBL25048518 0.81 PRMT5 (0.40) PRMT5CA2WDR77METTL3
SCHEMBL25048867 0.81 PRMT5 (0.40) PRMT5CA2WDR77METTL3
SCHEMBL30940844 0.81 PRMT5 (0.40) PRMT5CA2WDR77METTL3
SCHEMBL25048544 0.80 PRMT5 (0.39) PRMT5CA2WDR77METTL3
SCHEMBL25046817 0.80 PRMT5 (0.39) PRMT5CA2WDR77METTL3
SCHEMBL30940748 0.80 PRMT5 (0.39) PRMT5CA2WDR77METTL3

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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