SCHEMBL24335633

SCHEMBL24335633

NC(=O)CCc1ccc(SC(=O)CCOCCNC(=S)Nc2ccc3c(c2)C(=O)OC32c3ccc(O)cc3Oc3cc(O)ccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.54
▸ FTO Q9C0B1 6/20 0.49
▸ NQO1 P15559 1/20 0.47
▸ NAALAD2 Q9Y3Q0 2/20 0.47
▸ JAK2 O60674 1/20 0.45
▸ KEAP1 Q14145 1/20 0.45
▸ RORC P51449 1/20 0.44
▸ FOLH1 Q04609 1/20 0.44
▸ DRD2 P14416 3/20 0.43
▸ DRD1 P21728 3/20 0.43
▸ MIF P14174 1/20 0.42
▸ NR1H2 P55055 1/20 0.42
▸ KCNH2 Q12809 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
SCHEMBL23458553 0.94 TTR (0.56) TTRFTONQO1NAALAD2JAK2
SCHEMBL29861816 0.94 TTR (0.56) TTRFTONQO1NAALAD2JAK2
SCHEMBL25046527 0.91 TTR (0.55) TTRFTONQO1NAALAD2JAK2
SCHEMBL23458549 0.88 TTR (0.49) TTRFTONQO1NAALAD2JAK2
SCHEMBL29861584 0.88 TTR (0.49) TTRFTONQO1NAALAD2JAK2
SCHEMBL29936655 0.85 TTR (0.60) TTRFTONQO1NAALAD2JAK2
SCHEMBL15298976 0.84 TTR (0.60) TTRFTONQO1NAALAD2JAK2
SCHEMBL25046530 0.83 TTR (0.56) TTRFTONQO1NAALAD2JAK2
SCHEMBL27016019 0.82 TTR (0.64) TTRFTONQO1NAALAD2JAK2
SCHEMBL22542526 0.81 TTR (0.56) TTRFTONQO1NAALAD2JAK2

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-2022079031-A1 REACTIVE CONJUGATES DEBIOPHARM RESEARCH & MANUFACTURING S.A. (CH) 2022-04-21 — — WO disclosed
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