SCHEMBL6151380

SCHEMBL6151380

C[n+]1ccn(CCCNc2cc(NCCC[N+](C)(C)C)c(Cl)cc2[N+](=O)[O-])c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL6 P41182 2/20 0.36
BCOR Q6W2J9 2/20 0.36
LMNA P02545 3/20 0.35
MAPT P10636 6/20 0.34
ALDH1A1 P00352 3/20 0.34
POLB P06746 2/20 0.33
PKM P14618 2/20 0.33
KAT2B Q92831 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
HTT P42858 2/20 0.32
MAPK1 P28482 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
NPC1 O15118 1/20 0.32
PLA2G1B P04054 1/20 0.32
HSP90AA1 P07900 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
ATG4B Q9Y4P1 1/20 0.32

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
SCHEMBL7659809 0.93 LMNA (0.35) BCL6BCORLMNAMAPTALDH1A1
SCHEMBL5718310 0.88 MAPT (0.38) BCL6BCORLMNAMAPTALDH1A1
SCHEMBL5718321 0.82 LMNA (0.39) LMNAMAPTALDH1A1POLBPKM
SCHEMBL5718354 0.82 MAPT (0.35) BCL6BCORLMNAMAPTALDH1A1
SCHEMBL6151825 0.82 BCL6 (0.33) BCL6BCORLMNAMAPTALDH1A1
SCHEMBL5718267 0.81 MAPT (0.38) BCL6BCORLMNAMAPTALDH1A1
Sulfuric Acid SCHEMBL7668739 0.80 BCL6 (0.34) BCL6BCORLMNAMAPTALDH1A1
SCHEMBL5718533 0.80 MAPT (0.55) LMNAMAPTALDH1A1POLBPKM
SCHEMBL5718274 0.78 CYP19A1 (0.36) LMNAMAPTALDH1A1POLBPKM
SCHEMBL5718344 0.77 MAPT (0.35) BCL6BCORLMNAMAPTALDH1A1

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