SCHEMBL23120522

SCHEMBL23120522

CN(C(=O)O)c1ncnc2c1ccn2[C@@H]1C[C@H](CNCCCN(CCc2ccc(Oc3ccccc3)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 4)

geneUniProtsupporting neighboursconfidence
▸ CPB2 Q96IY4 1/20 0.31
▸ PRMT5 O14744 1/20 0.31
▸ WDR77 Q9BQA1 1/20 0.31
▸ NAPEPLD Q6IQ20 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
SCHEMBL23120354 0.95 NAPEPLD (0.32) PRMT5WDR77NAPEPLD
SCHEMBL25048314 0.93 CPB2 (0.32) CPB2PRMT5WDR77
SCHEMBL23120524 0.89 CPB2 (0.31) CPB2
SCHEMBL25047411 0.87 HDAC3 (0.31) PRMT5WDR77
SCHEMBL23120355 0.84 PRMT5 (0.33) PRMT5NAPEPLD
SCHEMBL31617908 0.83 NNMT (0.34) CPB2
SCHEMBL23120257 0.82 NPEPPS (0.30) —
SCHEMBL23120262 0.82 NPEPPS (0.30) —
SCHEMBL23137015 0.82 NPEPPS (0.30) —
SCHEMBL23137075 0.82 NPEPPS (0.30) —

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-2021053158-A1 NOVEL HISTONE METHYLTRANSFERASE INHIBITORS ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2021-03-25 — — WO disclosed
Send feedback