SCHEMBL4602896

SCHEMBL4602896

CN(N=Cc1cccc[n+]1CCCCCCn1cc[n+](CCCCn2ccnc2)c1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ TBXAS1 P24557 5/20 0.35
▸ CYP19A1 P11511 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ KDM4A O75164 1/20 0.33
▸ KDM2A Q9Y2K7 1/20 0.33

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
SCHEMBL4602891 1.00 MEN1 (0.36) MEN1KMT2ALMNAMAPK1TBXAS1
Bromide SCHEMBL3930965 0.99 MEN1 (0.36) MEN1KMT2ALMNAMAPK1TBXAS1
Bromide SCHEMBL3930970 0.99 MEN1 (0.36) MEN1KMT2ALMNAMAPK1TBXAS1
SCHEMBL13717108 0.93 MEN1 (0.41) MEN1KMT2ALMNAMAPK1TBXAS1
SCHEMBL4584737 0.88 TBXAS1 (0.37) MEN1KMT2ALMNAMAPK1TBXAS1
SCHEMBL4584627 0.88 KDM4A (0.34) KDM4AKDM2A
SCHEMBL4584622 0.88 KDM4A (0.34) KDM4AKDM2A
SCHEMBL4583954 0.88 TBXAS1 (0.37) MEN1KMT2ALMNAMAPK1TBXAS1
SCHEMBL4583949 0.88 TBXAS1 (0.37) MEN1KMT2ALMNAMAPK1TBXAS1
Bromide SCHEMBL3929432 0.87 TBXAS1 (0.36) MEN1KMT2ALMNAMAPK1TBXAS1

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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