SCHEMBL25048867

SCHEMBL25048867

O[C@@H]1[C@@H](CNCCCNCCc2ccccc2)C[C@@H](n2cc(-c3nc(Cc4ccccc4)cs3)c3cncnc32)[C@@H]1O

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 15/20 0.40
▸ METTL3 Q86U44 3/20 0.35
▸ WDR77 Q9BQA1 2/20 0.34
▸ CA2 P00918 1/20 0.34

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
SCHEMBL30940844 1.00 PRMT5 (0.40) PRMT5METTL3WDR77CA2
SCHEMBL25048897 0.89 PRMT5 (0.38) PRMT5METTL3WDR77CA2
SCHEMBL30941292 0.89 PRMT5 (0.38) PRMT5METTL3WDR77CA2
SCHEMBL25048546 0.89 PRMT5 (0.35) PRMT5METTL3CA2
SCHEMBL25048557 0.89 PRMT5 (0.38) PRMT5METTL3WDR77CA2
SCHEMBL25048519 0.88 CA2 (0.44) PRMT5METTL3WDR77CA2
SCHEMBL30941450 0.88 CA2 (0.44) PRMT5METTL3WDR77CA2
SCHEMBL25046817 0.88 PRMT5 (0.39) PRMT5METTL3WDR77CA2
SCHEMBL25048544 0.88 PRMT5 (0.39) PRMT5METTL3WDR77CA2
SCHEMBL30940748 0.88 PRMT5 (0.39) 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
Send feedback