SCHEMBL25047904

SCHEMBL25047904

CN1CC=C([C@H]2C[C@@H](n3cc(-c4nccs4)c4c(N)nc(Cl)nc43)[C@H](O)[C@@H]2O)CC1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADK P55263 1/20 0.37
▸ METTL3 Q86U44 3/20 0.32
▸ PRMT5 O14744 2/20 0.30
▸ WDR77 Q9BQA1 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
SCHEMBL25049368 0.85 ADK (0.34) ADKMETTL3
SCHEMBL30941232 0.85 ADK (0.34) ADKMETTL3
SCHEMBL30941204 0.85 ADK (0.37) ADK
SCHEMBL25047624 0.78 ADK (0.44) ADKMETTL3
Hydrochloric Acid SCHEMBL30940819 0.77 ADK (0.43) ADKMETTL3
SCHEMBL25048940 0.76 CNR1 (0.35) —
SCHEMBL30941365 0.76 CNR1 (0.35) —
SCHEMBL25048614 0.74 ADK (0.41) ADK
SCHEMBL25047998 0.71 ADK (0.37) ADKMETTL3PRMT5WDR77
SCHEMBL25047888 0.71 ADK (0.36) ADK

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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