SCHEMBL5324636

SCHEMBL5324636

CN(N=Cc1cc[n+](CCCCCCn2cc[n+](CCCCn3cc[n+](CCCCCC[n+]4ccc(C=NN(C)c5ccccc5)cc4)c3)c2)cc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.37
▸ MEN1 O00255 5/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.37
▸ NPC1 O15118 3/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ APAF1 O14727 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ALOX12 P18054 2/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL14386055 1.00 MAPT (0.37) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL5326765 1.00 MAPT (0.37) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL13717124 0.98 MAPT (0.36) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL13716910 0.91 MAPT (0.40) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL4583949 0.91 TBXAS1 (0.37) MEN1KMT2ALMNAMAPK1HTT
SCHEMBL4583954 0.91 TBXAS1 (0.37) MEN1KMT2ALMNAMAPK1HTT
Bromide SCHEMBL3936422 0.91 TBXAS1 (0.36) MEN1KMT2ALMNAMAPK1HTT
Bromide SCHEMBL3936424 0.91 TBXAS1 (0.36) MEN1KMT2ALMNAMAPK1HTT
SCHEMBL2920802 0.86 MEN1 (0.47) MAPTMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL3024010 0.86 MEN1 (0.47) MAPTMEN1KMT2ASMN1; SMN2NPC1

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
WO-2007122340-A1 CATIONIC DICHROMOPHORIC COMPOUND CONTAINING TWO UNITS OF HYDRAZONE TYPE AND COMPRISING A CATIONIC LINKER ARM, DYE COMPOSITION COMPRISING AT LEAST ONE SUCH COMPOUND, METHOD FOR THE USE THEREOF AND USES L'ORÉAL (FR) 2007-11-01 — — WO disclosed
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