SCHEMBL20729951

SCHEMBL20729951

C#CCCOCCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 1/20 0.61
▸ FTO Q9C0B1 9/20 0.58
▸ NAALAD2 Q9Y3Q0 2/20 0.53
▸ RORC P51449 1/20 0.52
▸ NQO1 P15559 1/20 0.49
▸ FOLH1 Q04609 1/20 0.48
▸ DRD1 P21728 2/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ KEAP1 Q14145 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ BLM P54132 1/20 0.46
▸ SMAD3 P84022 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ PRMT1 Q99873 1/20 0.46
▸ ACE2 Q9BYF1 1/20 0.46

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
SCHEMBL20729952 0.89 FTO (0.58) TTRFTONAALAD2RORCNQO1
SCHEMBL23417780 0.88 TTR (0.64) TTRFTONAALAD2RORCNQO1
SCHEMBL31542969 0.88 TTR (0.64) TTRFTONAALAD2RORCNQO1
SCHEMBL31542972 0.88 TTR (0.64) TTRFTONAALAD2RORCNQO1
SCHEMBL27016019 0.86 TTR (0.64) TTRFTONAALAD2RORCNQO1
SCHEMBL26430106 0.85 TTR (0.61) TTRFTONAALAD2RORCNQO1
SCHEMBL23417940 0.85 TTR (0.63) TTRFTONAALAD2RORCNQO1
SCHEMBL25045451 0.85 TTR (0.63) TTRFTONAALAD2RORCNQO1
SCHEMBL23417716 0.84 TTR (0.60) TTRFTONAALAD2RORCNQO1
SCHEMBL15271674 0.84 TTR (0.60) TTRFTONAALAD2RORCNQO1

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-2019030284-A1 NEW TARGETED CYTOTOXIC RATJADONE DERIVATIVES AND CONJUGATES THEREOF Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2019-02-14 — — WO disclosed
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