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SCHEMBL13754061

SCHEMBL13754061

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]1C

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAALAD2 Q9Y3Q0 11/20 0.52
▸ PRMT5 O14744 4/20 0.48
▸ WDR77 Q9BQA1 4/20 0.48
▸ TSG101 Q99816 3/20 0.48
▸ NR1H2 P55055 1/20 0.48
▸ FOLH1 Q04609 3/20 0.48
▸ FTO Q9C0B1 1/20 0.45

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
SCHEMBL14271924 0.98 NAALAD2 (0.50) NAALAD2PRMT5WDR77TSG101NR1H2
SCHEMBL13747486 0.82 PRMT5 (0.46) NAALAD2PRMT5WDR77TSG101NR1H2
SCHEMBL10060515 0.82 PRMT5 (0.46) NAALAD2PRMT5WDR77TSG101NR1H2
SCHEMBL13203414 0.81 PRMT5 (0.46) NAALAD2PRMT5WDR77TSG101NR1H2
SCHEMBL14262326 0.81 PRMT5 (0.46) NAALAD2PRMT5WDR77TSG101NR1H2
SCHEMBL19365089 0.77 TSG101 (0.56) NAALAD2PRMT5WDR77TSG101
SCHEMBL15828661 0.77 TSG101 (0.55) NAALAD2PRMT5WDR77TSG101
SCHEMBL9882143 0.77 NAALAD2 (0.66) NAALAD2NR1H2FOLH1FTO
SCHEMBL11952927 0.76 PRMT5 (0.44) NAALAD2PRMT5WDR77TSG101NR1H2
SCHEMBL10060330 0.76 PRMT5 (0.44) NAALAD2PRMT5WDR77TSG101NR1H2

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