SCHEMBL6151869

SCHEMBL6151869

CNc1ccc(N(C)CC[n+]2ccn(C)c2)cc1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HCAR3 P49019 1/20 0.38
HTT P42858 1/20 0.37
ALDH1A1 P00352 5/20 0.37
TDP1 Q9NUW8 2/20 0.37
TSHR P16473 1/20 0.37
CDC25B P30305 1/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
PABPC1 P11940 1/20 0.32
MAPK1 P28482 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH3A1 P30838 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31

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
Water SCHEMBL7664154 0.98 MAPT (0.37) MAPTNPSR1HCAR3HTTALDH1A1
SCHEMBL8104839 0.81 PRKCI (0.31)
Hydrochloric Acid SCHEMBL7718852 0.80 PRKCI (0.31)
Hydrochloric Acid SCHEMBL7713857 0.79 PRKCI (0.30)
SCHEMBL30723003 0.76 ALDH1A1 (0.56) MAPTNPSR1HCAR3HTTALDH1A1
SCHEMBL6151491 0.76 MAPT (0.47) MAPTNPSR1HCAR3HTTALDH1A1
SCHEMBL109662 0.76 ALDH1A1 (0.56) MAPTNPSR1HCAR3HTTALDH1A1
Hydrochloric Acid SCHEMBL5718504 0.71 MAPT (0.42) MAPTALDH1A1TDP1TSHRLMNA
Ethane SCHEMBL5417384 0.70 HCAR3 (0.55) MAPTNPSR1HCAR3HTTALDH1A1
SCHEMBL17693662 0.70 MAPT (0.49) MAPTNPSR1HCAR3HTTALDH1A1

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 3 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-1022271-A1 Cationic monobenzenic dyes, their use for the oxydative dyeing of keratinic fibres ,dye compositions and dyeing processes L'OREAL (FR) 2000-07-26 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