SCHEMBL28616672

SCHEMBL28616672

O=C(O)c1ccc2nc(-c3ccc(Br)cc3)oc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.67
ALB P02768 1/20 0.67
MAOA P21397 1/20 0.67
CNR1 P21554 1/20 0.67
DRD1 P21728 1/20 0.67
OPRD1 P41143 1/20 0.67
PDE4D Q08499 1/20 0.67
PDE3A Q14432 1/20 0.67
HDAC6 Q9UBN7 7/20 0.60
GPR119 Q8TDV5 1/20 0.54
NPC1 O15118 7/20 0.52
RAB9A P51151 7/20 0.52
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
MAPT P10636 3/20 0.52
HPGD P15428 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HSD17B10 Q99714 2/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52

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
SCHEMBL30485193 1.00 TTR (0.67) TTRALBMAOACNR1DRD1
SCHEMBL1675381 0.89 HDAC6 (0.76) TTRALBMAOACNR1DRD1
SCHEMBL27215735 0.89 TTR (0.71) TTRALBMAOACNR1DRD1
SCHEMBL1675290 0.87 TTR (0.68) TTRALBMAOACNR1DRD1
SCHEMBL29784233 0.87 TTR (0.72) TTRALBMAOACNR1DRD1
SCHEMBL121966 0.87 TTR (0.72) TTRALBMAOACNR1DRD1
SCHEMBL31261529 0.86 TTR (0.67) TTRALBMAOACNR1DRD1
SCHEMBL20898024 0.86 HDAC6 (0.74) TTRALBMAOACNR1DRD1
SCHEMBL20897612 0.86 MAOA (0.80) TTRALBMAOACNR1DRD1
SCHEMBL1675531 0.84 TTR (0.68) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113277993-B Synthesis method of Tafamidis and derivatives thereof 湖南第一师范学院 2023-07-21 CN disclosed
CN-113277993-A Synthetic method of Tafamidis and derivatives thereof 湖南第一师范学院 2021-08-20 CN disclosed