SCHEMBL168393

SCHEMBL168393

O=[N+]([O-])c1ccc(N(CCO)CCO)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
MAPT P10636 3/20 0.54
GAA P10253 3/20 0.54
POLB P06746 1/20 0.54
TSHR P16473 3/20 0.53
TDP1 Q9NUW8 3/20 0.51
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CRHBP P24387 1/20 0.48
ATM Q13315 1/20 0.48
CRHR2 Q13324 1/20 0.48
TLR9 Q9NR96 1/20 0.48
CES1 P23141 1/20 0.44
HTT P42858 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
PHLPP2 Q6ZVD8 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL10337892 0.95 ALDH1A1 (0.50) ALDH1A1MAPTGAAPOLBTSHR
SCHEMBL10938466 0.92 ALDH1A1 (0.48) ALDH1A1MAPTGAAPOLBTSHR
SCHEMBL112464 0.90 ALDH1A1 (0.66) ALDH1A1MAPTGAAPOLBTSHR
SCHEMBL112465 0.90 ALDH1A1 (0.66) ALDH1A1MAPTGAAPOLBTSHR
SCHEMBL8645474 0.90 PTGS2 (0.51) ALDH1A1MAPTGAAPOLBTSHR
SCHEMBL8813356 0.90 MAPT (0.51) ALDH1A1MAPTGAAPOLBTSHR
SCHEMBL8422918 0.90 PTGS2 (0.51) ALDH1A1MAPTGAAPOLBTSHR
SCHEMBL3130705 0.90 MAPT (0.51) ALDH1A1MAPTGAAPOLBTSHR
SCHEMBL9512221 0.87 APP (0.60) ALDH1A1MAPTGAAPOLBTSHR
SCHEMBL9512215 0.87 APP (0.60) ALDH1A1MAPTGAAPOLBTSHR

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 196 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120040374-B Near infrared light activated nitrogen mustard pharmaceutical compound and preparation method and application thereof CENTRAL SOUTH UNIVERSITY (CN) 2026-05-26 CN claimed
CN-120040374-A Near infrared light activated nitrogen mustard pharmaceutical compound and preparation method and application thereof 中南大学 2025-05-27 CN claimed
CN-109111384-B 1, 2-symmetric squaraine probe based on mercury ion recognition and preparation method and application thereof 常州大学 2020-10-09 CN claimed
CN-109336797-B 1, 3-position symmetrical squaraine probe based on silver ion recognition and preparation method and application thereof 常州大学 2020-10-09 CN claimed
CN-108191738-B Squarylium cyanine probe based on silver ion recognition and preparation method and application thereof 常州大学 2020-06-30 CN claimed
US-6712861-B2 CATIONIC DIRECT DYE L'OREAL S.A. (FR) 2004-03-30 US claimed
EP-0583417-B1 CROSSLINKED POLED POLYMERS FOR NONLINEAR OPTIC APPLICATIONS AND METHOD OF MAKING THEM DU PONT (US) 1997-01-29 EP claimed
EP-0376047-B1 2-Amino-6-chloro-4-nitrophenol derivatives, process for their preparation and hair dyeing agent containing the same WELLA AG (DE) 1994-05-04 EP claimed
EP-0583417-A1 CROSSLINKED POLED POLYMERS FOR NONLINEAR OPTIC APPLICATIONS AND METHOD OF MAKING THEM. DU PONT (US) 1994-02-23 EP claimed
US-5266651-A Crosslinked poled polymers for nonlinear optic applications and method of making them E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-11-30 US claimed
EP-0289782-B1 USE OF 2,6-DINITROANILIN DERIVATIVES IN HAIR DYEING COMPOSITIONS AND NEW 2,6-DINITROANILIN DERIVATIVES Wella Aktiengesellschaft (DE) 1992-03-04 EP claimed
US-5067966-A Direct dyeing nitro dye for hair dyes which can be combined with a polymer WELLA AKTIENGESELLSCHAFT (DE) 1991-11-26 US claimed
US-5030241-A Providing yellow and orange shades, with or without oxidation agent WELLA AKTIENGESELLSCHAFT (DE) 1991-07-09 US claimed
US-4975093-A Hair dyeing compositions containing 2,6-dinitro-phenol-derivatives WELLA AKTIENGESELLSCHAFT (DE) 1990-12-04 US claimed
WO-1990007557-A1 2-AMINO-6-CHLOR-4-NITROPHENOL DERIVATIVES, PROCESS FOR OBTAINING THEM AND HAIR DYE CONTAINING THESE COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 1990-07-12 WO claimed
EP-0376047-A1 2-Amino-6-chloro-4-nitrophenol derivatives, process for their preparation and hair dyeing agent containing the same Wella Aktiengesellschaft (DE) 1990-07-04 EP claimed
EP-0352489-A2 Use of 2,6-dinitrophenol derivatives in hair dyeing compositions Wella Aktiengesellschaft (DE) 1990-01-31 EP claimed
WO-1988008696-A1 USE OF 2,6 DINITRO-ANILINE DERIVATIVES IN HAIR TINTING AGENTS AND NEW DERIVATIVES OF 2,6 DINITRO-ANILINE WELLA AKTIENGESELLSCHAFT (DE) 1988-11-17 WO claimed
EP-0289782-A1 Use of 2,6-dinitroanilin derivatives in hair dyeing compositions and new 2,6-dinitroanilin derivatives Wella Aktiengesellschaft (DE) 1988-11-09 EP claimed
EP-0226973-A2 4-Bis(2'-hydroxyethyl)amino-1-(3'-hydroxypropyl)amino-2-nitro-benzene, process for its preparation and means for dyeing hair Wella Aktiengesellschaft (DE) 1987-07-01 EP claimed