SCHEMBL25048580

SCHEMBL25048580

CN(CCCNCCc1ccc(F)cc1)C[C@H]1C[C@@H](n2cc(-c3nc(Cc4ccccc4)cs3)c3c(N)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 3/20 0.32
▸ CA2 P00918 1/20 0.31
▸ METTL3 Q86U44 2/20 0.31
▸ DOT1L Q8TEK3 1/20 0.30
▸ ADRB3 P13945 1/20 0.30

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
SCHEMBL25049233 0.94 PRMT5 (0.32) PRMT5CA2METTL3DOT1L
SCHEMBL25048295 0.91 PRMT5 (0.33) PRMT5CA2METTL3ADRB3
SCHEMBL30940989 0.89 METTL3 (0.35) PRMT5CA2METTL3DOT1L
SCHEMBL25048478 0.89 METTL3 (0.35) PRMT5CA2METTL3DOT1L
SCHEMBL25048574 0.88 ADK (0.32) PRMT5METTL3
SCHEMBL25048805 0.87 CA2 (0.35) PRMT5CA2METTL3
Hydrochloric Acid SCHEMBL30940743 0.86 CA2 (0.34) PRMT5CA2METTL3
SCHEMBL31617985 0.86 CA2 (0.31) CA2
SCHEMBL30941400 0.86 CA2 (0.31) CA2
SCHEMBL25049371 0.85 CA2 (0.34) PRMT5CA2METTL3DOT1L

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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