SCHEMBL5697136

SCHEMBL5697136

O=C1Nc2cc(Oc3ccc4c(c3)NC(=O)C4=O)ccc2C1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 2/20 1.00
MAOA P21397 11/20 0.83
MAOB P27338 11/20 0.83
CES1 P23141 3/20 0.58
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
EIF2AK2 P19525 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL5894020 0.91 MAOA (1.00) TGM2MAOAMAOBCES1MAPT
SCHEMBL1249793 0.85 ALDH1A1 (0.74) TGM2MAOAMAOBCES1ALDH1A1
SCHEMBL1027756 0.84 TGM2 (1.00) TGM2MAOAMAOBCES1ALDH1A1
SCHEMBL23296092 0.80 CES1 (0.77) TGM2MAOAMAOBCES1ALDH1A1
SCHEMBL5328390 0.80 TGM2 (0.67) TGM2MAOAMAOBCES1ALDH1A1
SCHEMBL31621242 0.80 CES1 (0.77) TGM2MAOAMAOBCES1ALDH1A1
SCHEMBL5324236 0.78 TGM2 (0.63) TGM2MAOAMAOBCES1ALDH1A1
SCHEMBL27634033 0.76 MAOA (1.00) TGM2MAOAMAOBL3MBTL1
SCHEMBL30398896 0.75 CES1 (0.62) TGM2MAOAMAOBCES1ALDH1A1
SCHEMBL8557 0.73 CES1 (0.71) TGM2MAOAMAOBCES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1362579-B1 Agent for dyeing keratinous fibres HENKEL KGAA (DE) 2006-05-24 EP claimed
EP-1362579-A1 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-11-19 EP claimed
EP-1362579-B1 Agent for dyeing keratinous fibres HENKEL KGAA (DE) 2006-05-24 EP disclosed
EP-1362579-A1 Agent for dyeing keratinous fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2003-11-19 EP disclosed