SCHEMBL14940571

SCHEMBL14940571

Nc1ccc(N(CCO)CCCN(CCO)c2ccc(N)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.48
TDP1 Q9NUW8 6/20 0.48
CYP3A4 P08684 5/20 0.48
TSHR P16473 4/20 0.48
MAPK1 P28482 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
GFER P55789 2/20 0.48
PSMD14 O00487 2/20 0.48
RECQL P46063 1/20 0.48
TP53 P04637 2/20 0.38
ALOX15 P16050 2/20 0.38
MAPT P10636 9/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 3/20 0.36
CYP2D6 P10635 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 3/20 0.35

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
SCHEMBL34106 0.96 ALDH1A1 (0.48) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL23839781 0.94 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4TSHRMAPK1
Hydrochloric Acid SCHEMBL11701613 0.94 ALDH1A1 (0.47) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL8521178 0.94 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL33874 0.94 ALDH1A1 (0.54) ALDH1A1TDP1CYP3A4TSHRMAPK1
Water SCHEMBL3359653 0.91 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRMAPK1
Hydrochloric Acid SCHEMBL7714474 0.91 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL33796 0.91 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRMAPK1
Hydrochloric Acid SCHEMBL8756114 0.91 ALDH1A1 (0.52) ALDH1A1TDP1CYP3A4TSHRMAPK1
SCHEMBL8018099 0.89 ALDH1A1 (0.50) ALDH1A1TDP1CYP3A4TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3206755-A1 METHOD FOR THE SIMULTANEOUS PERMANENT SHAPING AND DYEING OF KERATIN FIBERS Henkel AG & Co. KGaA (DE) 2017-08-23 EP disclosed
EP-3206661-A1 METHOD FOR SIMULTANEOUSLY AND PERMANENTLY SHAPING AND COLOURING KERATIN FIBRES Henkel AG & Co. KGaA (DE) 2017-08-23 EP disclosed
WO-2016058750-A1 METHOD FOR THE SIMULTANEOUS PERMANENT SHAPING AND DYEING OF KERATIN FIBERS HENKEL AG & CO. KGAA (DE) 2016-04-21 WO disclosed
WO-2016058748-A1 METHOD FOR SIMULTANEOUSLY AND PERMANENTLY SHAPING AND COLOURING KERATIN FIBRES HENKEL AG & CO. KGAA (DE) 2016-04-21 WO disclosed
EP-2916916-A1 METHODS FOR ALTERING THE COLOR AND APPEARANCE OF HAIR L'Oréal (FR) 2015-09-16 EP disclosed
EP-2775992-A1 COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR L'Oréal (FR) 2014-09-17 EP disclosed
WO-2014074812-A1 METHODS FOR ALTERING THE COLOR AND APPEARANCE OF HAIR L'OREAL (FR) 2014-05-15 WO disclosed
WO-2014074825-A1 METHODS FOR ALTERING THE COLOR AND APPEARANCE OF HAIR L'OREAL (FR) 2014-05-15 WO disclosed
WO-2013071194-A1 COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR L'OREAL (FR) 2013-05-16 WO disclosed
WO-2013071196-A1 COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR L'OREAL (FR) 2013-05-16 WO disclosed
WO-2013071191-A1 COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR L'OREAL (FR) 2013-05-16 WO disclosed