SCHEMBL29096552

SCHEMBL29096552

CC/C(=C\c1cccc(Cl)c1O)[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.37
NPSR1 Q6W5P4 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSP90AA1 P07900 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
FBP1 P09467 3/20 0.35
IAPP P10997 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
MAPT P10636 3/20 0.34
GPR35 Q9HC97 2/20 0.34
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL29096553 1.00 ERN1 (0.37) ERN1NPSR1L3MBTL1HSP90AA1ALDH1A1
SCHEMBL29096571 0.79 TLR2 (0.54) ERN1L3MBTL1HSP90AA1ALDH1A1KMT2A
SCHEMBL29096573 0.79 TLR2 (0.54) ERN1L3MBTL1HSP90AA1ALDH1A1KMT2A
SCHEMBL29096527 0.78 TRIM24 (0.42) NPSR1ALDH1A1KMT2AMEN1FBP1
SCHEMBL29096529 0.78 TRIM24 (0.42) NPSR1ALDH1A1KMT2AMEN1FBP1
SCHEMBL8677538 0.73 TRPA1 (0.49) NPSR1L3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL8677541 0.73 TRPA1 (0.49) NPSR1L3MBTL1ALDH1A1KMT2AMEN1
SCHEMBL29096559 0.73 ERN1 (0.49) ERN1NPSR1L3MBTL1ALDH1A1KMT2A
SCHEMBL29096558 0.73 ERN1 (0.49) ERN1NPSR1L3MBTL1ALDH1A1KMT2A
SCHEMBL9530709 0.71 ERN1 (0.38) ERN1NPSR1L3MBTL1HSP90AA1ALDH1A1

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-116693552-A Polycyclic dihydrobenzofuran compound and preparation method thereof 浙江大学 2023-09-05 CN disclosed