SCHEMBL25048642

SCHEMBL25048642

CC1(C)O[C@@H]2[C@H](O1)[C@@H](c1ccccc1)C[C@H]2n1cc(Br)c2c(Cl)ncnc21

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 6/20 0.42
▸ METTL3 Q86U44 10/20 0.42
▸ AHCY P23526 1/20 0.33
▸ SRC P12931 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ NR2F2 P24468 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL25047443 0.85 ADK (0.40) ADKMETTL3
SCHEMBL24293871 0.84 METTL3 (0.40) ADKMETTL3SRC
SCHEMBL25046663 0.82 ADK (0.46) ADKMETTL3
SCHEMBL25046608 0.81 NNMT (0.36) AHCY
SCHEMBL20488512 0.80 ADK (0.43) ADKMETTL3AHCY
SCHEMBL30941168 0.80 ADK (0.46) ADKMETTL3
SCHEMBL24314267 0.80 ADK (0.43) ADKMETTL3AHCY
SCHEMBL24293547 0.79 METTL3 (0.40) ADKMETTL3
SCHEMBL31617994 0.78 ADK (0.44) ADKMETTL3
SCHEMBL31617998 0.78 ADK (0.44) 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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