SCHEMBL25048519

SCHEMBL25048519

Nc1ncnc2c1c(-c1nc(Cc3ccccc3)cs1)cn2[C@@H]1C[C@H](CNCCCNCCc2ccccc2)[C@@H](O)[C@H]1O

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.44
▸ METTL3 Q86U44 12/20 0.41
▸ PRMT5 O14744 5/20 0.41
▸ SRC P12931 4/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38

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
SCHEMBL30941450 1.00 CA2 (0.44) CA2METTL3PRMT5SRCWDR77
SCHEMBL25048805 0.89 CA2 (0.35) CA2METTL3PRMT5
SCHEMBL30940891 0.89 CA2 (0.43) CA2METTL3PRMT5SRC
SCHEMBL25049326 0.89 CA2 (0.43) CA2METTL3PRMT5SRC
Hydrochloric Acid SCHEMBL30940743 0.89 CA2 (0.34) CA2METTL3PRMT5
SCHEMBL25049332 0.88 ADK (0.47) CA2METTL3PRMT5SRCWDR77
SCHEMBL30940961 0.88 ADK (0.47) CA2METTL3PRMT5SRCWDR77
SCHEMBL25048867 0.88 PRMT5 (0.40) CA2METTL3PRMT5WDR77
SCHEMBL30940844 0.88 PRMT5 (0.40) CA2METTL3PRMT5WDR77
SCHEMBL25047827 0.87 CA2 (0.45) CA2METTL3PRMT5SRCWDR77

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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