SCHEMBL4626052

SCHEMBL4626052

C[n+]1ccc(C=Cc2ccc(C=O)cc2)c2ccccc21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHAT P28329 5/20 0.77
RAD52 P43351 3/20 0.68
APP P05067 5/20 0.67
HTT P42858 5/20 0.64
NPSR1 Q6W5P4 5/20 0.64
SMN1; SMN2 Q16637 4/20 0.64
MEN1 O00255 4/20 0.64
NPC1 O15118 4/20 0.64
POLB P06746 4/20 0.64
RAB9A P51151 4/20 0.64
KMT2A Q03164 4/20 0.64
PKM P14618 3/20 0.64
NSD2 O96028 2/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
MAPT P10636 4/20 0.58
MAPK1 P28482 3/20 0.58
KDM4E B2RXH2 3/20 0.47
RECQL P46063 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL4626049 1.00 CHAT (0.77) CHATRAD52APPHTTNPSR1
SCHEMBL5157891 0.89 CHAT (0.61) CHATRAD52APPHTTNPSR1
SCHEMBL13766059 0.86 CHAT (0.79) CHATRAD52APPHTTNPSR1
SCHEMBL14700346 0.85 CHAT (0.77) CHATRAD52APPHTTNPSR1
SCHEMBL1245826 0.85 CHAT (0.77) CHATRAD52APPHTTNPSR1
SCHEMBL14984145 0.82 RAD52 (0.97) CHATRAD52APPHTTNPSR1
SCHEMBL16183104 0.82 RAD52 (0.97) CHATRAD52APPHTTNPSR1
SCHEMBL876926 0.82 CHAT (0.62) CHATRAD52APPHTTNPSR1
SCHEMBL29357465 0.82 CHAT (0.62) CHATRAD52APPHTTNPSR1
SCHEMBL1226373 0.82 CHAT (0.68) CHATRAD52APPHTTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 EP claimed
EP-1200049-B1 AGENT FOR DYING KERATIN FIBERS HENKEL KGAA (DE) 2007-02-21 EP claimed
EP-1432428-B1 Agent for colouring fibres containing keratin HENKEL KGAA (DE) 2006-11-02 EP claimed
EP-1434557-B1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS HENKEL KGAA (DE) 2005-11-09 EP claimed
EP-1200050-B1 DYEING AGENT FOR KERATINOUS FIBRES HENKEL KGAA (DE) 2004-09-22 EP claimed
EP-1434557-A1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-07-07 EP claimed
EP-1432388-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP claimed
US-6755872-B1 ALDEHYDE OR KETONE AND NITROAMINE HETEROAROMATICS; NO OXIDING AGENT REQUIRED; COLORFASTNESS; GREY COVERAGE; COLOR DEPTH HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-06-29 US claimed
WO-2003030845-A1 AGENT FOR THE COLORATION OF KERATIN-CONTAINING FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
WO-2003030847-A1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2003-04-17 WO claimed
EP-1300132-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
EP-1200050-A2 DYEING AGENT FOR KERATINOUS FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2002-05-02 EP claimed
WO-2001010379-A2 DYEING AGENT FOR KERATINOUS FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-02-15 WO claimed
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 EP disclosed
EP-1200049-B1 AGENT FOR DYING KERATIN FIBERS HENKEL KGAA (DE) 2007-02-21 EP disclosed
EP-1432428-B1 Agent for colouring fibres containing keratin HENKEL KGAA (DE) 2006-11-02 EP disclosed
EP-1200050-A2 DYEING AGENT FOR KERATINOUS FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2002-05-02 EP disclosed
EP-1200049-A1 AGENT FOR DYING KERATIN FIBERS Henkel Kommanditgesellschaft auf Aktien (DE) 2002-05-02 EP disclosed
WO-2001010379-A2 DYEING AGENT FOR KERATINOUS FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-02-15 WO disclosed
WO-2001010398-A1 AGENT FOR DYING KERATIN FIBERS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2001-02-15 WO disclosed