SCHEMBL25049345

SCHEMBL25049345

COc1cccc([C@H]2C[C@@H](n3ccc4c(N)nc(Cl)nc43)[C@H](O)[C@@H]2O)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 2/20 0.41
▸ CHKB Q9Y259 1/20 0.41
▸ PRMT5 O14744 8/20 0.40
▸ WDR77 Q9BQA1 6/20 0.40
▸ BACE1 P56817 1/20 0.39
▸ HTR2A P28223 2/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ HTR2B P41595 2/20 0.38
▸ AHCY P23526 1/20 0.38
▸ METTL3 Q86U44 2/20 0.38
▸ METTL14 Q9HCE5 1/20 0.38
▸ NT5E P21589 2/20 0.37
▸ MAPT P10636 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
SCHEMBL25048466 0.91 PRMT5 (0.39) CHKACHKBPRMT5WDR77AHCY
SCHEMBL30941587 0.91 PRMT5 (0.39) CHKACHKBPRMT5WDR77AHCY
Hydrochloric Acid SCHEMBL30940867 0.90 PRMT5 (0.38) CHKACHKBPRMT5WDR77AHCY
SCHEMBL25048467 0.88 PRMT5 (0.39) PRMT5WDR77AHCYMETTL3METTL14
SCHEMBL25048808 0.88 NT5E (0.39) PRMT5WDR77AHCYMETTL3METTL14
SCHEMBL25046776 0.88 NT5E (0.39) PRMT5WDR77AHCYMETTL3METTL14
SCHEMBL25049347 0.87 PRMT5 (0.38) PRMT5WDR77METTL3METTL14NT5E
SCHEMBL25047896 0.85 NT5E (0.37) CHKAPRMT5WDR77METTL3METTL14
SCHEMBL30941009 0.85 NT5E (0.37) CHKAPRMT5WDR77METTL3METTL14
SCHEMBL25046822 0.85 METTL3 (0.39) PRMT5WDR77AHCYMETTL3METTL14

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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