SCHEMBL6150869

SCHEMBL6150869

CCN(CC)c1ccc(NCCCn2cc[n+](C)c2)c([N+](=O)[O-])c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 6/20 0.40
KAT2B Q92831 3/20 0.40
HCAR3 P49019 3/20 0.40
POLB P06746 3/20 0.40
PKM P14618 2/20 0.40
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.37
PRSS1 P07477 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL7664536 0.93 ALDH1A1 (0.40) ALDH1A1TSHRTDP1MAPTKAT2B
SCHEMBL6151420 0.89 ALDH1A1 (0.62) ALDH1A1TSHRTDP1MAPTKAT2B
SCHEMBL5718533 0.83 MAPT (0.55) ALDH1A1TDP1MAPTKAT2BPOLB
SCHEMBL7666964 0.83 ALDH1A1 (0.54) ALDH1A1TSHRTDP1MAPTKAT2B
SCHEMBL5718338 0.82 MAPT (0.46) ALDH1A1MAPTKAT2BPOLBPKM
SCHEMBL6151779 0.82 CYP19A1 (0.50) ALDH1A1TSHRTDP1MAPTKAT2B
SCHEMBL5718310 0.79 MAPT (0.38) ALDH1A1MAPTKAT2BPOLBPKM
SCHEMBL5718453 0.78 MAPT (0.44) ALDH1A1TDP1MAPTKAT2BPOLB
SCHEMBL5718347 0.78 MAPT (0.42) ALDH1A1TSHRTDP1MAPTKAT2B
SCHEMBL6571775 0.77 POLB (0.42) ALDH1A1TSHRMAPTKAT2BPOLB

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