SCHEMBL28510879

SCHEMBL28510879

O=[N+]([O-])/C=C/c1c(O)ccc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.57
RXRA P19793 1/20 0.57
MAPT P10636 6/20 0.56
HPGD P15428 3/20 0.56
LMNA P02545 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
NPC1 O15118 2/20 0.56
HTT P42858 2/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 3/20 0.52
HSP90AA1 P07900 2/20 0.52
MITF O75030 1/20 0.52
PKM P14618 1/20 0.52
MAPK1 P28482 1/20 0.52
TLR9 Q9NR96 1/20 0.52
RRM1 P23921 3/20 0.50
RIOK2 Q9BVS4 1/20 0.47
KDM4E B2RXH2 2/20 0.47
KMT2A Q03164 3/20 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
SCHEMBL28510880 1.00 ERN1 (0.57) ERN1RXRAMAPTHPGDLMNA
SCHEMBL21831542 0.81 RXRA (0.57) ERN1RXRAMAPTHPGDLMNA
SCHEMBL21831540 0.81 RXRA (0.57) ERN1RXRAMAPTHPGDLMNA
SCHEMBL7915280 0.80 ERN1 (0.70) ERN1MAPTHPGDNPC1HTT
SCHEMBL7915285 0.80 ERN1 (0.70) ERN1MAPTHPGDNPC1HTT
SCHEMBL20338596 0.80 RXRA (0.59) RXRAMAPTHPGDLMNANPSR1
SCHEMBL4428406 0.80 RXRA (0.59) RXRAMAPTHPGDLMNANPSR1
SCHEMBL8709084 0.77 MAPT (0.66) RXRAMAPTHPGDLMNANPSR1
SCHEMBL31618276 0.77 MAPT (0.66) RXRAMAPTHPGDLMNANPSR1
SCHEMBL8709081 0.77 MAPT (0.66) RXRAMAPTHPGDLMNANPSR1

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
CN-110041340-B 6-aryl-benzofuran carbazole compounds and preparation and application thereof 浙江大学 2020-12-18 CN disclosed