SCHEMBL25049101

SCHEMBL25049101

C/C=C(\C)CCNCCCNC[C@H]1C[C@@H](n2cc(C)c3c(Cl)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 3/20 0.41
▸ METTL3 Q86U44 6/20 0.38
▸ PRMT5 O14744 4/20 0.38
▸ CA2 P00918 1/20 0.33
▸ AHCY P23526 2/20 0.32
▸ NNMT P40261 2/20 0.32
▸ WDR77 Q9BQA1 2/20 0.32
▸ ADORA2B P29275 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ RAB9A P51151 1/20 0.31

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
SCHEMBL25048202 0.83 ADK (0.31) ADKPRMT5WDR77
SCHEMBL25049103 0.82 ADK (0.38) ADKMETTL3
SCHEMBL25048505 0.74 CA2 (0.40) METTL3PRMT5CA2NNMT
SCHEMBL30940751 0.73 METTL3 (0.54) ADKMETTL3PRMT5CA2
SCHEMBL30941506 0.73 ADK (0.40) ADKMETTL3PRMT5CA2MTOR
SCHEMBL25046806 0.73 METTL3 (0.54) ADKMETTL3PRMT5CA2
SCHEMBL30941527 0.73 PRMT5 (0.37) METTL3PRMT5CA2
SCHEMBL25048501 0.73 PRMT5 (0.37) METTL3PRMT5CA2
SCHEMBL25048205 0.72 ABL1 (0.32) —
SCHEMBL25048514 0.71 METTL3 (0.44) METTL3PRMT5CA2AHCYADORA2B

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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