SCHEMBL29861397

SCHEMBL29861397

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

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.56
▸ MIF P14174 1/20 0.51
▸ NAALAD2 Q9Y3Q0 5/20 0.48
▸ RORC P51449 1/20 0.47
▸ FTO Q9C0B1 5/20 0.47
▸ NQO1 P15559 1/20 0.47
▸ FOLH1 Q04609 1/20 0.46
▸ KEAP1 Q14145 1/20 0.44
▸ JAK2 O60674 1/20 0.43
▸ MAP1LC3B Q9GZQ8 1/20 0.42
▸ KCNH2 Q12809 1/20 0.40
▸ NR1H2 P55055 1/20 0.40

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
SCHEMBL23458537 1.00 TTR (0.56) TTRMIFNAALAD2RORCFTO
SCHEMBL25046515 0.92 TTR (0.51) TTRMIFNAALAD2RORCFTO
SCHEMBL29861238 0.90 TTR (0.59) TTRMIFNAALAD2RORCFTO
SCHEMBL23458565 0.90 TTR (0.59) TTRMIFNAALAD2RORCFTO
SCHEMBL29861565 0.90 TTR (0.49) TTRMIFNAALAD2RORCFTO
SCHEMBL23458544 0.90 TTR (0.49) TTRMIFNAALAD2RORCFTO
SCHEMBL29468053 0.87 TTR (0.62) TTRMIFNAALAD2RORCFTO
SCHEMBL23476626 0.87 TTR (0.62) TTRMIFNAALAD2RORCFTO
SCHEMBL25046532 0.87 MIF (0.46) TTRMIFNAALAD2RORCFTO
SCHEMBL25045481 0.84 TTR (0.53) TTRMIFNAALAD2RORCFTO

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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