SCHEMBL29271983

SCHEMBL29271983

C=CC[n+]1ccn(CCCCCCCCCCCCCC)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
HSP90AA1 P07900 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
APAF1 O14727 1/20 0.54
NPC1 O15118 1/20 0.54
PLA2G1B P04054 1/20 0.54
MAPT P10636 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
RAB9A P51151 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
ATG4B Q9Y4P1 1/20 0.54
FDPS P14324 18/20 0.48

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
SCHEMBL4358561 1.00 MEN1 (0.56) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL3398652 1.00 MEN1 (0.56) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL28548851 1.00 MEN1 (0.56) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL2693557 1.00 MEN1 (0.56) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL15901605 1.00 MEN1 (0.56) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
SCHEMBL23698402 1.00 MEN1 (0.56) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Bromide SCHEMBL15901519 0.98 MEN1 (0.55) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Iodide SCHEMBL2894606 0.98 MEN1 (0.55) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Iodide SCHEMBL15008637 0.98 MEN1 (0.55) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1
Iodide SCHEMBL15009156 0.98 MEN1 (0.55) MEN1HSP90AA1KMT2ASMN1; SMN2APAF1

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-118290346-A Method for producing amide compound, and amide compound 广荣化学株式会社 2024-07-05 CN disclosed
CN-112703184-B Method for producing amide compound, and amide compound 广荣化学株式会社 2024-06-11 CN disclosed