SCHEMBL8538882

SCHEMBL8538882

O=C1CCCCN1C(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
MITF O75030 1/20 0.58
KMT2A Q03164 4/20 0.54
MAPT P10636 3/20 0.54
MEN1 O00255 2/20 0.54
KDM4E B2RXH2 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
THRB P10828 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
RECQL P46063 1/20 0.54
BLM P54132 1/20 0.54
POLB P06746 1/20 0.53
ALDH1A1 P00352 4/20 0.51
HPGD P15428 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 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
SCHEMBL8545715 0.99 SMN1; SMN2 (0.60) SMN1; SMN2MITFKMT2AMAPTMEN1
SCHEMBL8440899 0.95 KMT2A (0.58) SMN1; SMN2MITFKMT2AMAPTMEN1
SCHEMBL8377415 0.86 MITF (0.73) SMN1; SMN2MITFKMT2AMAPTMEN1
SCHEMBL8544026 0.85 L3MBTL1 (0.51) SMN1; SMN2MITFKMT2AMAPTMEN1
SCHEMBL1823712 0.84 MITF (0.77) SMN1; SMN2MITFKMT2AMAPTMEN1
SCHEMBL8379314 0.84 MITF (0.77) SMN1; SMN2MITFKMT2AMAPTMEN1
SCHEMBL8382911 0.84 MITF (0.77) SMN1; SMN2MITFKMT2AMAPTMEN1
SCHEMBL8380777 0.84 MITF (0.77) SMN1; SMN2MITFKMT2AMAPTMEN1
SCHEMBL1948086 0.84 MITF (0.77) SMN1; SMN2MITFKMT2AMAPTMEN1
SCHEMBL8538617 0.84 SMN1; SMN2 (0.50) SMN1; SMN2MITFKMT2AMAPTMEN1

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
US-5753138-A COMPRISING SPECIFIED BLEACH ACTIVATOR PRODUCING PERACID ON HYDROLYSIS, HYDROGEN PEROXIDE SOURCE THE PROCTER & GAMBLE COMPANY (US) 1998-05-19 US disclosed
EP-0792345-A1 BLEACHING COMPOSITIONS AND BLEACH-ADDITIVES COMPRISING BLEACH ACTIVATORS EFFECTIVE AT LOW PERHYDROXYL CONCENTRATIONS THE PROCTER & GAMBLE COMPANY (US) 1997-09-03 EP disclosed
EP-0792343-A1 USE OF BLEACH ACTIVATORS FOR LOW PERHYDROXYL CONCENTRATIONS THE PROCTER & GAMBLE COMPANY (US) 1997-09-03 EP disclosed
EP-0792344-A1 BLEACHING DETERGENT COMPOSITIONS COMPRISING BLEACH ACTIVATORS EFFECTIVE AT LOW PERHYDROXYL CONCENTRATIONS THE PROCTER & GAMBLE COMPANY (US) 1997-09-03 EP disclosed
US-5635104-A Bleaching solutions and method utilizing selected bleach activators effective at low perhydroxyl concentrations THE PROCTER & GAMBLE COMPANY (US) 1997-06-03 US disclosed
WO-1996016155-A1 BLEACHING COMPOSITIONS AND BLEACH-ADDITIVES COMPRISING BLEACH ACTIVATORS EFFECTIVE AT LOW PERHYDROXYL CONCENTRATIONS THE PROCTER & GAMBLE COMPANY (US) 1996-05-30 WO disclosed
WO-1996016156-A1 USE OF BLEACH ACTIVATORS FOR LOW PERHYDROXYL CONCENTRATIONS THE PROCTER & GAMBLE COMPANY (US) 1996-05-30 WO disclosed
WO-1996016157-A1 BLEACHING DETERGENT COMPOSITIONS COMPRISING BLEACH ACTIVATORS EFFECTIVE AT LOW PERHYDROXYL CONCENTRATIONS THE PROCTER & GAMBLE COMPANY (US) 1996-05-30 WO disclosed