SCHEMBL25048275

SCHEMBL25048275

C=CS/C(=C\C)C1CCC(n2ccc3c(N)ncnc32)C1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 12/20 0.40
▸ WDR77 Q9BQA1 9/20 0.40
▸ ADCY5 O95622 3/20 0.39
▸ ADK P55263 1/20 0.38
▸ METTL3 Q86U44 1/20 0.37
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL25047427 0.87 PIP4K2A (0.38) PRMT5WDR77ADCY5
SCHEMBL25048759 0.83 ADCY5 (0.42) PRMT5WDR77ADCY5ADKMETTL3
SCHEMBL19714822 0.78 ADCY5 (0.49) PRMT5WDR77ADCY5ADKMETTL3
SCHEMBL18571704 0.77 MEN1 (0.41) PRMT5WDR77ADKMETTL3MEN1
SCHEMBL19714842 0.77 ADCY5 (0.48) PRMT5WDR77ADCY5ADK
SCHEMBL19714888 0.76 ADCY5 (0.67) PRMT5WDR77ADCY5ADK
SCHEMBL14447403 0.75 MEN1 (0.43) PRMT5WDR77ADKMEN1
SCHEMBL25047869 0.75 PRMT5 (0.34) PRMT5WDR77ADCY5ADKMETTL3
SCHEMBL23584600 0.72 ADCY5 (0.47) PRMT5WDR77ADCY5ADKMETTL3
SCHEMBL19344041 0.72 ADCY5 (0.47) PRMT5WDR77ADCY5ADKMETTL3

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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