SCHEMBL25046822

SCHEMBL25046822

COc1cc([C@H]2C[C@@H](n3ccc4c(N)nc(Cl)nc43)[C@H](O)[C@@H]2O)ccn1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ METTL3 Q86U44 3/20 0.39
▸ METTL14 Q9HCE5 1/20 0.39
▸ PRMT5 O14744 15/20 0.39
▸ WDR77 Q9BQA1 12/20 0.39
▸ AHCY P23526 1/20 0.36

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
SCHEMBL25049042 0.87 PRMT5 (0.39) METTL3METTL14PRMT5WDR77AHCY
SCHEMBL30941587 0.85 PRMT5 (0.39) METTL3METTL14PRMT5WDR77AHCY
SCHEMBL25048466 0.85 PRMT5 (0.39) METTL3METTL14PRMT5WDR77AHCY
SCHEMBL25049345 0.85 CHKA (0.41) METTL3METTL14PRMT5WDR77AHCY
Hydrochloric Acid SCHEMBL30940867 0.85 PRMT5 (0.38) METTL3METTL14PRMT5WDR77AHCY
SCHEMBL25048467 0.84 PRMT5 (0.39) METTL3METTL14PRMT5WDR77AHCY
SCHEMBL30941090 0.83 PRMT5 (0.31) PRMT5WDR77
SCHEMBL25047885 0.83 METTL3 (0.46) METTL3METTL14PRMT5AHCY
SCHEMBL25049347 0.81 PRMT5 (0.38) METTL3METTL14PRMT5WDR77
SCHEMBL25048785 0.81 METTL3 (0.43) METTL3METTL14PRMT5WDR77AHCY

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
Send feedback