SCHEMBL25046572

SCHEMBL25046572

CC(C)(C)OC(=O)NCc1cccc([C@H]2C[C@@H](n3cc(Br)c4c(Cl)nc(Cl)nc43)[C@@H]3OC(C)(C)O[C@@H]32)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 4/20 0.37
▸ BRD4 O60885 3/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ CREBBP Q92793 1/20 0.33
▸ CYP2D6 P10635 1/20 0.32
▸ ADORA3 P0DMS8 2/20 0.32
▸ ADORA1 P30542 2/20 0.32
▸ ADORA2A P29274 2/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ GLS O94925 3/20 0.31
▸ TAS2R8 Q9NYW2 1/20 0.31
▸ CHKA P35790 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
SCHEMBL25047831 0.94 METTL3 (0.41) METTL3BRD4ROCK2CREBBPCYP2D6
SCHEMBL30941254 0.87 BRD4 (0.36) BRD4ROCK2CREBBPCYP2D6ADORA3
SCHEMBL30940800 0.84 CHKA (0.36) BRD4ROCK2CREBBPCYP2D6GLS
SCHEMBL31618085 0.83 METTL3 (0.33) METTL3
SCHEMBL25048356 0.83 METTL3 (0.33) METTL3
SCHEMBL30941203 0.83 METTL3 (0.33) METTL3
SCHEMBL31617917 0.82 HRH2 (0.31) —
SCHEMBL30941032 0.80 PRMT5 (0.40) BRD4ROCK2CREBBPCYP2D6GLS
SCHEMBL25048303 0.80 HTR2A (0.32) METTL3
SCHEMBL30940742 0.80 HTR2A (0.32) METTL3

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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