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SCHEMBL13747486

SCHEMBL13747486

CN[C@@H](C)C(=O)N[C@@H](CCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)N1CCC[C@H]1CN(CCc1ccccc1)C(=O)CCCC(=O)N(CCc1ccccc1)CC1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)NC)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 7/20 0.46
▸ WDR77 Q9BQA1 7/20 0.46
▸ NAALAD2 Q9Y3Q0 6/20 0.44
▸ TSG101 Q99816 5/20 0.43
▸ FOLH1 Q04609 2/20 0.41
▸ MAP1LC3B Q9GZQ8 1/20 0.41
▸ NR1H2 P55055 1/20 0.41

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
SCHEMBL10060515 1.00 PRMT5 (0.46) PRMT5WDR77NAALAD2TSG101FOLH1
SCHEMBL14262326 0.99 PRMT5 (0.46) PRMT5WDR77NAALAD2TSG101FOLH1
SCHEMBL13164737 0.95 PRMT5 (0.42) PRMT5WDR77NAALAD2TSG101FOLH1
SCHEMBL11952927 0.94 PRMT5 (0.44) PRMT5WDR77NAALAD2TSG101FOLH1
SCHEMBL10060330 0.94 PRMT5 (0.44) PRMT5WDR77NAALAD2TSG101FOLH1
SCHEMBL13203414 0.93 PRMT5 (0.46) PRMT5WDR77NAALAD2TSG101FOLH1
SCHEMBL12651696 0.90 TSG101 (0.38) PRMT5WDR77TSG101
SCHEMBL18754963 0.84 XIAP (0.35) PRMT5WDR77NAALAD2TSG101MAP1LC3B
SCHEMBL14271924 0.82 NAALAD2 (0.50) PRMT5WDR77NAALAD2TSG101FOLH1
SCHEMBL13754061 0.82 NAALAD2 (0.52) PRMT5WDR77NAALAD2TSG101FOLH1

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
US-7579320-B2 IAP BIR domain binding compounds AEGERA THERAPEUTICS, INC. 2009-08-25 — — US disclosed