SCHEMBL6152687

SCHEMBL6152687

Nc1ncc([N+](=O)[O-])cc1CCN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
PKM P14618 2/20 0.46
MAPT P10636 2/20 0.46
CTSB P07858 1/20 0.46
ALDH1A1 P00352 4/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
LMNA P02545 2/20 0.42
KCNJ1 P48048 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.40
KCNH2 Q12809 1/20 0.40
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL28193624 0.78 POLB (0.54) POLBKMT2AMEN1PKMMAPT
SCHEMBL15972100 0.75 ALDH1A1 (0.57) POLBKMT2AMEN1PKMMAPT
SCHEMBL6529829 0.75 POLB (0.45) POLBKMT2AMEN1PKMMAPT
SCHEMBL31125096 0.74 CTSB (0.54) POLBKMT2AMEN1PKMMAPT
SCHEMBL5105572 0.74 POLB (0.50) POLBKMT2AMAPTALDH1A1CYP1A2
SCHEMBL28171036 0.73 LMNA (0.56) POLBKMT2AMEN1PKMMAPT
SCHEMBL3180816 0.72 SIGMAR1 (0.44) POLBKMT2AMAPTALDH1A1CYP1A2
SCHEMBL1817755 0.72 POLB (0.59) POLBKMT2AMEN1MAPTALDH1A1
SCHEMBL29495264 0.71 ALDH1A1 (0.52) POLBKMT2AMEN1PKMMAPT
SCHEMBL14397720 0.71 KMT2A (0.54) POLBKMT2AMEN1MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1218344-B1 OXIDATION COLORANT STARTING PRODUCTS HENKEL KGAA (DE) 2005-08-17 EP disclosed
EP-1218344-A2 OXIDATION COLORANT STARTING PRODUCTS Henkel Kommanditgesellschaft auf Aktien (DE) 2002-07-03 EP disclosed
WO-2000076977-A2 OXIDATION COLORANT STARTING PRODUCTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2000-12-21 WO disclosed