SCHEMBL25048821

SCHEMBL25048821

Nc1ncnc2c1c(Br)cn2[C@@H]1C[C@H](CNCCCNCCc2ccccc2)[C@@H](O)[C@H]1O

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 19/20 0.56
▸ CA2 P00918 1/20 0.44
▸ PRMT5 O14744 1/20 0.42

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
SCHEMBL30941053 1.00 METTL3 (0.56) METTL3CA2PRMT5
SCHEMBL25047810 0.92 METTL3 (0.59) METTL3CA2PRMT5
SCHEMBL31618086 0.92 METTL3 (0.59) METTL3CA2PRMT5
SCHEMBL31618042 0.91 METTL3 (0.59) METTL3CA2PRMT5
SCHEMBL25046614 0.91 METTL3 (0.59) METTL3CA2PRMT5
SCHEMBL25048398 0.91 METTL3 (0.54) METTL3CA2PRMT5
SCHEMBL30941227 0.91 METTL3 (0.54) METTL3CA2PRMT5
SCHEMBL25047864 0.90 MTOR (0.53) METTL3CA2PRMT5
SCHEMBL25046806 0.90 METTL3 (0.54) METTL3CA2PRMT5
SCHEMBL30941639 0.90 MTOR (0.53) METTL3CA2PRMT5

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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