SCHEMBL5167952

SCHEMBL5167952

O=[N+]([O-])c1cccc(NNCCO)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.55
KMT2A Q03164 3/20 0.55
POLB P06746 3/20 0.55
MEN1 O00255 2/20 0.55
DDX3X O00571 1/20 0.55
HTT P42858 1/20 0.55
CTDSP1 Q9GZU7 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.53
ALDH1A1 P00352 5/20 0.50
ALOX12 P18054 2/20 0.50
HPGD P15428 1/20 0.50
BLM P54132 1/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
MMP2 P08253 1/20 0.49
LMNA P02545 1/20 0.48
TSHR P16473 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL8978467 0.84 MAPT (0.51) MAPTKMT2APOLBMEN1DDX3X
SCHEMBL28826075 0.84 ALDH1A1 (0.54) MAPTKMT2APOLBMEN1DDX3X
SCHEMBL30067720 0.84 KMT2A (0.58) MAPTKMT2APOLBMEN1DDX3X
SCHEMBL3214047 0.84 KMT2A (0.58) MAPTKMT2APOLBMEN1DDX3X
SCHEMBL27625427 0.81 MAPT (0.58) MAPTKMT2APOLBMEN1DDX3X
SCHEMBL6163774 0.80 KMT2A (0.50) MAPTKMT2APOLBMEN1HTT
Methoxymethane SCHEMBL28167006 0.79 KMT2A (0.54) MAPTKMT2APOLBMEN1DDX3X
SCHEMBL11115027 0.78 ALDH1A1 (0.57) MAPTKMT2APOLBMEN1DDX3X
SCHEMBL28807504 0.77 MAPT (0.62) MAPTKMT2APOLBMEN1DDX3X
SCHEMBL6231289 0.76 MAPT (0.53) MAPTKMT2APOLBMEN1DDX3X

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1321128-B1 Hair mousse comprising salts in an amount of from 0,5 to 20% HENKEL KGAA (DE) 2007-08-22 EP disclosed
EP-1771150-A1 CATIONIC AZO COMPOUNDS AS DIRECT DYES FOR THE COLOURING OF KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-04-11 EP disclosed
WO-2006013036-A1 CATIONIC AZO COMPOUNDS AS DIRECT DYES FOR THE COLOURING OF KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-02-09 WO disclosed
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN disclosed
EP-1430874-A2 4-N, N-Bis-(monohydroxyalkyl)amino-3-nitrophenol derivatives in dyeing compositions for keratinic fibres Henkel Kommanditgesellschaft auf Aktien (DE) 2004-06-23 EP disclosed
EP-1321128-A2 Hair mousse Hans Schwarzkopf & Henkel GmbH & Co. KG (DE) 2003-06-25 EP disclosed
EP-0470381-B1 Hair treatment composition and hair dye composition KAO CORP (JP) 1996-01-10 EP disclosed
US-5254333-A Contains acidic dye, 2-benzyloxyethanol and a water-soluble nonionic polymer; imparts good feeling to hair; safe to hair and skin KAO CORPORATION (JP) 1993-10-19 US disclosed