SCHEMBL4625091

SCHEMBL4625091

O=C(O)Oc1cccc2c1C(=O)C(=O)N2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.50
TGM2 P21980 5/20 0.40
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
CASP3 P42574 6/20 0.36
LIG1 P18858 1/20 0.36
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
DUSP3 P51452 1/20 0.35
BLM P54132 1/20 0.35
PTPN5 P54829 1/20 0.35
PTPN11 Q06124 1/20 0.35
MCL1 Q07820 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TOP1 P11387 1/20 0.35
ELANE P08246 1/20 0.35
SIRT5 Q9NXA8 1/20 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
SCHEMBL281586 0.77 CES1 (0.55) CES1TGM2MAOAMAOBCASP3
SCHEMBL30397534 0.77 CES1 (0.55) CES1TGM2MAOAMAOBCASP3
SCHEMBL4625089 0.74 CES1 (0.55) CES1TGM2MAOAMAOBLIG1
SCHEMBL5894111 0.73 CES1 (0.50) CES1TGM2MAOAMAOBCASP3
SCHEMBL30504154 0.73 CES1 (0.50) CES1TGM2MAOAMAOBKDM4E
SCHEMBL18703103 0.73 MAOB (0.52) CES1MAOAMAOBCASP3MEN1
SCHEMBL29502997 0.73 MAOB (0.52) CES1MAOAMAOBCASP3MEN1
SCHEMBL1727899 0.73 TTR (0.54) MAOAMAOBCASP3MEN1MAPT
SCHEMBL7109053 0.73 ALDH1A1 (0.51) MAOAMAOBCASP3MEN1MAPT
SCHEMBL9110128 0.72 CES1 (0.56) CES1TGM2MAOAMAOBCASP3

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 34 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-1432428-B1 Agent for colouring fibres containing keratin HENKEL KGAA (DE) 2006-11-02 EP claimed
EP-1585489-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN Henkel Kommanditgesellschaft auf Aktien (DE) 2005-10-19 EP claimed
EP-1575539-A1 DYE TABLETS Henkel Kommanditgesellschaft auf Aktien (DE) 2005-09-21 EP claimed
WO-2004058203-A2 AGENT FOR DYEING FIBRES CONTAINING KERATIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (US) 2004-07-15 WO claimed
WO-2004058202-A1 DYE TABLETS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2004-07-15 WO claimed
EP-1434552-A1 METHOD FOR DYEING KERATINOUS FIBRES 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
EP-1432428-A1 Agent for colouring fibres containing keratin Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-30 EP claimed
WO-2003030841-A1 METHOD FOR DYEING KERATINOUS FIBRES 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
WO-2003030842-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-1300133-A2 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-04-09 EP claimed
EP-0695163-B1 ISATIN DERIVATIVES FOR DYEING KERATIN-CONTAINING FIBRES HENKEL KGAA (DE) 1997-03-05 EP claimed
EP-0695163-A1 ISATIN DERIVATIVES FOR DYEING KERATIN-CONTAINING FIBRES HENKEL KGAA (DE) 1996-02-07 EP claimed
WO-1994024989-A1 ISATIN DERIVATIVES FOR DYEING KERATIN-CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1994-11-10 WO claimed
EP-1432388-B1 AGENT FOR COLOURING FIBRES CONTAINING KERATIN HENKEL AG & CO KGAA (DE) 2008-06-18 EP disclosed
EP-0695163-A1 ISATIN DERIVATIVES FOR DYEING KERATIN-CONTAINING FIBRES HENKEL KGAA (DE) 1996-02-07 EP disclosed
WO-1994024989-A1 ISATIN DERIVATIVES FOR DYEING KERATIN-CONTAINING FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1994-11-10 WO disclosed