SCHEMBL23729426

SCHEMBL23729426

NC(Cc1ccc(OC(=O)c2ccc3nc(-c4cc(Cl)cc(Cl)c4)oc3c2)cc1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.57
ALB P02768 1/20 0.57
MAOA P21397 1/20 0.57
CNR1 P21554 1/20 0.57
DRD1 P21728 1/20 0.57
OPRD1 P41143 1/20 0.57
PDE4D Q08499 1/20 0.57
PDE3A Q14432 1/20 0.57
TPH1 P17752 8/20 0.43
HDAC6 Q9UBN7 2/20 0.40
SLC7A5 Q01650 1/20 0.40
HTT P42858 1/20 0.39
PKM P14618 1/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL23729862 1.00 TTR (0.57) TTRALBMAOACNR1DRD1
SCHEMBL23729417 1.00 TTR (0.57) TTRALBMAOACNR1DRD1
Hydrochloric Acid SCHEMBL23704420 0.99 TTR (0.56) TTRALBMAOACNR1DRD1
Hydrochloric Acid SCHEMBL30049735 0.99 TTR (0.56) TTRALBMAOACNR1DRD1
Hydrochloric Acid SCHEMBL23704417 0.99 TTR (0.56) TTRALBMAOACNR1DRD1
SCHEMBL23729861 0.90 TTR (0.54) TTRALBMAOACNR1DRD1
SCHEMBL23729402 0.90 TTR (0.54) TTRALBMAOACNR1DRD1
SCHEMBL23729392 0.90 TTR (0.56) TTRALBMAOACNR1DRD1
Hydrochloric Acid SCHEMBL23704416 0.89 TTR (0.53) TTRALBMAOACNR1DRD1
Hydrochloric Acid SCHEMBL23704414 0.89 TTR (0.53) TTRALBMAOACNR1DRD1

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-2021154842-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR STABILIZING TRANSTHYRETIN AND INHIBITING TRANSTHYRETIN MISFOLDING PROTEGO BIOPHARMA, INC. (US) 2021-08-05 WO disclosed