SCHEMBL25048805

SCHEMBL25048805

Nc1nc(Cl)nc2c1c(-c1nc(Cc3ccccc3)cs1)cn2[C@@H]1C[C@H](CNCCCNCCc2ccccc2)[C@@H](O)[C@H]1O

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.35
▸ PRMT5 O14744 4/20 0.33
▸ METTL3 Q86U44 7/20 0.31
▸ C1S P09871 1/20 0.31
▸ SLC5A1 P13866 1/20 0.30
▸ SLC5A2 P31639 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
Hydrochloric Acid SCHEMBL30940743 0.99 CA2 (0.34) CA2PRMT5METTL3C1S
SCHEMBL25048295 0.97 PRMT5 (0.33) CA2PRMT5METTL3SLC5A1SLC5A2
SCHEMBL25048519 0.89 CA2 (0.44) CA2PRMT5METTL3
SCHEMBL30941450 0.89 CA2 (0.44) CA2PRMT5METTL3
SCHEMBL25048546 0.88 PRMT5 (0.35) CA2PRMT5METTL3
SCHEMBL25048580 0.87 PRMT5 (0.32) CA2PRMT5METTL3
SCHEMBL25049233 0.86 PRMT5 (0.32) CA2PRMT5METTL3
Hydrochloric Acid SCHEMBL30940936 0.85 CA2 (0.39) CA2PRMT5METTL3C1S
SCHEMBL25048971 0.84 CA2 (0.38) CA2PRMT5METTL3
SCHEMBL31617897 0.83 CA2 (0.31) CA2

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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