SCHEMBL25046663

SCHEMBL25046663

CC1(C)O[C@@H]2[C@H](O1)[C@@H](C(=O)O)C[C@H]2n1cc(Br)c2c(Cl)ncnc21

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 11/20 0.46
▸ METTL3 Q86U44 5/20 0.35
▸ RAPGEF3 O95398 1/20 0.33
▸ SLC29A1 Q99808 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
SCHEMBL31617994 0.89 ADK (0.44) ADKMETTL3RAPGEF3
SCHEMBL31617998 0.89 ADK (0.44) ADKMETTL3RAPGEF3
SCHEMBL20488512 0.84 ADK (0.43) ADKMETTL3RAPGEF3
SCHEMBL30941168 0.84 ADK (0.46) ADKMETTL3SLC29A1
SCHEMBL25048642 0.82 ADK (0.42) ADKMETTL3
SCHEMBL24314267 0.82 ADK (0.43) ADKMETTL3
SCHEMBL24314271 0.81 ADK (0.43) ADKMETTL3SLC29A1
SCHEMBL29610855 0.81 ADK (0.43) ADKMETTL3SLC29A1
SCHEMBL19667572 0.79 NNMT (0.40) —
SCHEMBL20488584 0.79 PRMT5 (0.45) ADKMETTL3

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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