SCHEMBL25047896

SCHEMBL25047896

COc1cc(CN)cc([C@H]2C[C@@H](n3ccc4c(N)nc(Cl)nc43)[C@H](O)[C@@H]2O)c1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NT5E P21589 2/20 0.37
▸ METTL3 Q86U44 5/20 0.37
▸ PRMT5 O14744 12/20 0.36
▸ WDR77 Q9BQA1 8/20 0.36
▸ METTL14 Q9HCE5 1/20 0.36
▸ CHKA P35790 1/20 0.36

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
SCHEMBL30941009 1.00 NT5E (0.37) NT5EMETTL3PRMT5WDR77METTL14
SCHEMBL25048466 0.92 PRMT5 (0.39) NT5EMETTL3PRMT5WDR77METTL14
SCHEMBL30941587 0.92 PRMT5 (0.39) NT5EMETTL3PRMT5WDR77METTL14
Hydrochloric Acid SCHEMBL30940867 0.91 PRMT5 (0.38) NT5EMETTL3PRMT5WDR77METTL14
SCHEMBL25049347 0.88 PRMT5 (0.38) NT5EMETTL3PRMT5WDR77METTL14
SCHEMBL25049345 0.85 CHKA (0.41) NT5EMETTL3PRMT5WDR77METTL14
SCHEMBL25048467 0.85 PRMT5 (0.39) NT5EMETTL3PRMT5WDR77METTL14
SCHEMBL25048835 0.84 PRMT5 (0.41) NT5EMETTL3PRMT5WDR77METTL14
SCHEMBL25048474 0.82 PRMT5 (0.35) NT5EMETTL3PRMT5WDR77METTL14
SCHEMBL25046822 0.80 METTL3 (0.39) METTL3PRMT5WDR77METTL14

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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