SCHEMBL25048290

SCHEMBL25048290

CC(C)Oc1cccc(C2CC(n3ccc4c(N)nc(Cl)nc43)[C@H](O)C2)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 1/20 0.37
▸ PLAU P00749 1/20 0.37
▸ PLAT P00750 1/20 0.37
▸ KLK1 P06870 1/20 0.37
▸ BACE1 P56817 1/20 0.36
▸ CHKA P35790 2/20 0.34
▸ NT5E P21589 2/20 0.34
▸ CHKB Q9Y259 1/20 0.34
▸ PRMT5 O14744 9/20 0.34
▸ WDR77 Q9BQA1 7/20 0.34
▸ METTL3 Q86U44 1/20 0.33
▸ DHFR P00374 1/20 0.32
▸ HTR1A P08908 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ HTR7 P34969 1/20 0.31
▸ HTR6 P50406 1/20 0.31
▸ TARS1 P26639 1/20 0.31
▸ FFAR1 O14842 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
SCHEMBL25046776 0.78 NT5E (0.39) NT5EPRMT5WDR77METTL3
SCHEMBL25048343 0.77 PRMT5 (0.36) NT5EPRMT5WDR77
SCHEMBL25049345 0.76 CHKA (0.41) BACE1CHKANT5ECHKBPRMT5
SCHEMBL25046778 0.75 CHKA (0.37) CHKANT5ECHKB
SCHEMBL25048808 0.72 NT5E (0.39) NT5EPRMT5WDR77METTL3
SCHEMBL25048466 0.71 PRMT5 (0.39) CHKANT5ECHKBPRMT5WDR77
SCHEMBL30941587 0.71 PRMT5 (0.39) CHKANT5ECHKBPRMT5WDR77
Hydrochloric Acid SCHEMBL30940867 0.70 PRMT5 (0.38) CHKANT5ECHKBPRMT5WDR77
SCHEMBL25048806 0.70 CHKA (0.35) CHKANT5ECHKBDHFR
SCHEMBL31617909 0.70 CHKA (0.35) CHKANT5ECHKBDHFR

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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