SCHEMBL25047411

SCHEMBL25047411

CN(C(=O)OC(C)(C)C)c1ncnc2c1ccn2[C@@H]1C[C@H](CNCCCN(Cc2ccc(OCc3ccccc3)cc2)C(=O)OC(C)(C)C)[C@H]2OC(C)(C)O[C@H]21

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ NCOR2 Q9Y618 1/20 0.31
▸ YAP1 P46937 1/20 0.30
▸ GHSR Q92847 1/20 0.30
▸ PRMT5 O14744 1/20 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
SCHEMBL25048314 0.94 CPB2 (0.32) PRMT5WDR77
SCHEMBL23120522 0.87 CPB2 (0.31) PRMT5WDR77
SCHEMBL23120354 0.85 NAPEPLD (0.32) PRMT5WDR77
SCHEMBL25047765 0.79 PRMT5 (0.33) PRMT5WDR77
SCHEMBL23120524 0.78 CPB2 (0.31) —
SCHEMBL25047420 0.78 PRMT5 (0.34) PRMT5WDR77
SCHEMBL25047839 0.77 DOT1L (0.34) PRMT5WDR77
SCHEMBL23135872 0.77 NPEPPS (0.33) PRMT5WDR77
SCHEMBL31617908 0.77 NNMT (0.34) —
SCHEMBL23137096 0.77 PRMT5 (0.31) PRMT5WDR77

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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