SCHEMBL6152971

SCHEMBL6152971

CC[N+](C)(CC)CCNc1cc(NCCCn2cc[n+](C)c2)ccc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.38
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KAT2B Q92831 1/20 0.36
MAPT P10636 6/20 0.36
SIRT5 Q9NXA8 2/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
NPC1 O15118 1/20 0.33
PLA2G1B P04054 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATG4B Q9Y4P1 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
SCHEMBL7664021 0.93 HTR6 (0.34) HTR6MAPK1L3MBTL1KAT2BMAPT
SCHEMBL6151236 0.85 MAPT (0.41) HTR6MAPK1L3MBTL1KAT2BMAPT
SCHEMBL6570543 0.80 ALDH1A1 (0.39) MAPK1L3MBTL1KAT2BMAPTALDH1A1
SCHEMBL7664335 0.78 MAPT (0.37) HTR6KAT2BMAPTSIRT5GLA
SCHEMBL5718310 0.75 MAPT (0.38) MAPK1KAT2BMAPTGAAALDH1A1
SCHEMBL6151380 0.75 BCL6 (0.36) MAPK1KAT2BMAPTGAAALDH1A1
SCHEMBL6572859 0.75 ALDH1A1 (0.49) MAPK1MAPTGLAGAAALDH1A1
SCHEMBL6150869 0.74 ALDH1A1 (0.46) MAPK1KAT2BMAPTALDH1A1RAB9A
SCHEMBL7251857 0.74 TMEM97 (0.37) MAPTGLAGAAALDH1A1MEN1
SCHEMBL5718533 0.74 MAPT (0.55) L3MBTL1KAT2BMAPTGAAALDH1A1

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
EP-1018508-B1 Cationic monobenzenic nitrophenylene diamines, their use for dyeing keratinic fibres, dye compositions containing them and dye processes OREAL (FR) 2005-05-04 EP disclosed
EP-1018508-A1 Cationic monobenzenic nitrophenylene diamines, their use for dyeing keratinic fibres, dye compositions containing them and dye processes L'OREAL (FR) 2000-07-12 EP disclosed