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SCHEMBL29861565

SCHEMBL29861565

O=C(OCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)Oc1ccc2nc(C(=O)ON3C(=O)CCC3=O)ccc2c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.49
▸ MIF P14174 1/20 0.48
▸ NAALAD2 Q9Y3Q0 5/20 0.45
▸ FOLH1 Q04609 1/20 0.45
▸ NQO1 P15559 1/20 0.44
▸ RORC P51449 1/20 0.44
▸ FTO Q9C0B1 4/20 0.42
▸ JAK2 O60674 1/20 0.41
▸ KEAP1 Q14145 1/20 0.41
▸ MAP1LC3B Q9GZQ8 1/20 0.40
▸ DRD2 P14416 3/20 0.39
▸ DRD1 P21728 3/20 0.39

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
SCHEMBL23458544 1.00 TTR (0.49) TTRMIFNAALAD2FOLH1NQO1
SCHEMBL25046532 0.91 MIF (0.46) TTRMIFNAALAD2FOLH1NQO1
SCHEMBL29861448 0.91 TTR (0.51) TTRMIFNAALAD2FOLH1NQO1
SCHEMBL23458566 0.91 TTR (0.51) TTRMIFNAALAD2FOLH1NQO1
SCHEMBL23458537 0.90 TTR (0.56) TTRMIFNAALAD2FOLH1NQO1
SCHEMBL29861397 0.90 TTR (0.56) TTRMIFNAALAD2FOLH1NQO1
SCHEMBL25046515 0.87 TTR (0.51) TTRMIFNAALAD2FOLH1NQO1
SCHEMBL29861238 0.83 TTR (0.59) TTRMIFNAALAD2FOLH1NQO1
SCHEMBL23458565 0.83 TTR (0.59) TTRMIFNAALAD2FOLH1NQO1
SCHEMBL30200914 0.81 TTR (0.58) TTRMIFNAALAD2FOLH1NQO1

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
EP-4069311-A1 REACTIVE CONJUGATES Debiopharm Research & Manufacturing SA (CH) 2022-10-12 — — EP disclosed
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