SCHEMBL4583954

SCHEMBL4583954

CN(N=Cc1cc[n+](CCCCCCn2cc[n+](CCCCn3ccnc3)c2)cc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TBXAS1 P24557 6/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CYP19A1 P11511 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL4583949 1.00 TBXAS1 (0.37) TBXAS1MEN1KMT2ALMNAMAPK1
Bromide SCHEMBL3936424 0.99 TBXAS1 (0.36) TBXAS1MEN1KMT2ALMNAMAPK1
Bromide SCHEMBL3936422 0.99 TBXAS1 (0.36) TBXAS1MEN1KMT2ALMNAMAPK1
SCHEMBL14386087 0.94 TBXAS1 (0.41) TBXAS1MEN1KMT2ALMNAMAPK1
SCHEMBL14386055 0.91 MAPT (0.37) MEN1KMT2ALMNAMAPK1ALDH1A1
SCHEMBL5326765 0.91 MAPT (0.37) MEN1KMT2ALMNAMAPK1ALDH1A1
SCHEMBL5324636 0.91 MAPT (0.37) MEN1KMT2ALMNAMAPK1ALDH1A1
SCHEMBL13717124 0.89 MAPT (0.36) MEN1KMT2ALMNAMAPK1ALDH1A1
SCHEMBL4602891 0.88 MEN1 (0.36) TBXAS1MEN1KMT2ALMNAMAPK1
SCHEMBL4584737 0.88 TBXAS1 (0.37) TBXAS1MEN1KMT2ALMNAMAPK1

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
EP-1980558-A1 Polycationic monochromophoric compounds of hydrazone type, dyeing compositions comprising same and dyeing method L'Oréal (FR) 2008-10-15 — — EP disclosed
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