SCHEMBL4632479

SCHEMBL4632479

CN(CCO)N(C)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
POLB P06746 1/20 0.55
LMNA P02545 2/20 0.50
MAPT P10636 3/20 0.48
MAPK1 P28482 1/20 0.48
TSHR P16473 3/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNA4 P43681 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
CASP3 P42574 1/20 0.44
RAB9A P51151 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
HTR7 P34969 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL282374 0.85 ALDH1A1 (0.58) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL23550 0.81 ALDH1A1 (0.60) ALDH1A1MEN1KMT2APOLBLMNA
Hydrochloric Acid SCHEMBL20267626 0.80 ALDH1A1 (0.59) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL7467742 0.79 ALDH1A1 (0.55) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL455957 0.79 ALDH1A1 (0.58) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL3412211 0.78 ALDH1A1 (0.52) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL17479568 0.76 ALDH1A1 (0.52) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL2418609 0.76 ALDH1A1 (0.54) ALDH1A1MEN1KMT2APOLBLMNA
SCHEMBL30780918 0.76 TSHR (0.61) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL1413129 0.76 TSHR (0.61) ALDH1A1MEN1KMT2ALMNAMAPT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926469-A1 AGENT TO COLOR KERATIN FIBERS CONTAINING 2-AMINO-5-METHYLPHENOL AND M-AMINOPHENOLES The Procter and Gamble Company (US) 2008-06-04 EP disclosed
EP-1844109-A2 USE OF CATIONIC AZACYANINE DYES FOR COLORING KERATIN FIBERS Wella Aktiengesellschaft (DE) 2007-10-17 EP disclosed
EP-1844108-A2 COLORANTS COMPRISING CATIONIC AZACYANINE DYES Wella Aktiengesellschaft (DE) 2007-10-17 EP disclosed
WO-2007093943-A1 COLORING AGENTS FOR KERATIN FIBERS THE PROCTER & GAMBLE COMPANY (US) 2007-08-23 WO disclosed
WO-2007034410-A1 AGENT TO COLOR KERATIN FIBERS CONTAINING 2-AMINO-5-METHYLPHENOL AND M-AMINOPHENOLES THE PROCTER & GAMBLE COMPANY (US) 2007-03-29 WO disclosed
WO-2006081244-A2 COLORANTS COMPRISING CATIONIC AZACYANINE DYES THE PROCTER & GAMBLE COMPANY (US) 2006-08-03 WO disclosed
WO-2006081246-A2 USE OF CATIONIC AZACYANINE DYES FOR COLORING KERATIN FIBERS THE PROCTER & GAMBLE COMPANY (US) 2006-08-03 WO disclosed