SCHEMBL5386629

SCHEMBL5386629

CCCOC(=O)c1ccc(C)c(N)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.56
MAPT P10636 2/20 0.56
TSHR P16473 3/20 0.56
ALDH1A1 P00352 2/20 0.56
SLC6A2 P23975 2/20 0.56
ESR1 P03372 2/20 0.56
CHRM1 P11229 1/20 0.56
KDR P35968 1/20 0.56
CYP1A2 P05177 4/20 0.54
CYP3A4 P08684 3/20 0.54
CYP2C19 P33261 2/20 0.54
MAOA P21397 2/20 0.54
CYP2D6 P10635 2/20 0.54
SCN1A P35498 2/20 0.54
KCNH2 Q12809 2/20 0.54
SCN2A Q99250 2/20 0.54
SCN3A Q9NY46 2/20 0.54
HRH3 Q9Y5N1 2/20 0.54
SIGMAR1 Q99720 1/20 0.54
KDM4E B2RXH2 1/20 0.54

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
SCHEMBL11581098 0.91 CYP1A2 (0.65) TDP1MAPTTSHRALDH1A1SLC6A2
SCHEMBL11140485 0.90 MAPT (0.54) TDP1MAPTTSHRALDH1A1SLC6A2
SCHEMBL1927097 0.88 LMNA (0.62) TDP1MAPTALDH1A1ESR1CYP1A2
SCHEMBL9761032 0.88 ALDH1A1 (0.67) MAPTTSHRALDH1A1ESR1CYP1A2
SCHEMBL11322913 0.87 SERPINE1 (0.53) TDP1MAPTTSHRALDH1A1SLC6A2
SCHEMBL27826346 0.87 TSHR (0.59) TDP1MAPTTSHRALDH1A1SLC6A2
SCHEMBL5378134 0.86 MAPT (0.54) TDP1MAPTTSHRALDH1A1CYP1A2
SCHEMBL19354835 0.85 ESR1 (0.61) TDP1MAPTTSHRALDH1A1SLC6A2
SCHEMBL11518697 0.84 KDM4E (0.66) TDP1MAPTTSHRALDH1A1SLC6A2
SCHEMBL11395472 0.84 ALDH1A1 (0.58) TDP1MAPTTSHRALDH1A1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6548647-B2 Spraying coupling components in solution or suspension to collide in reactor chamber, then pressurizing to remove; useful for offset printing inks CLARIANT GMBH (DE) 2003-04-15 US claimed
US-20020055619-A1 Process for preparing azo colorants CLARIANT GMBH 2002-05-09 US claimed
US-7309389-B2 Preparation of azo colorants in microreactors and their use in electrophotographic toners and developers, powder coatings, ink jet inks and electronic medias CLARIANT FINANCE (BVI) LIMITED (VG) 2007-12-18 US disclosed
US-20070213516-A1 Process For Producing High-Purity Azo Dyes HOELLEIN VOLKER 2007-09-13 US disclosed
US-7135266-B2 Preparation of azo colorants in microreactors and their use in electrophotographic toners and developers, powder coatings, ink jet inks and electronic medias CLARIANT FINANCE (BVI) LIMITED (VG) 2006-11-14 US disclosed
US-20060228640-A1 Preparation of azo colorants in microreactors and their use in electrophotographic toners and developers, powder coatings, ink jet inks and electronic medias CLARIANT FINANCE (BVI) LIMITED 2006-10-12 US disclosed
US-20060042117-A1 Method and device for carrying out chemical and physical methods CLARIANT PRODUKTE (DEUTSCHLAND) GMBH (DE) 2006-03-02 US disclosed
US-20040131507-A1 Adjustment of concentration of reactants; rotating electrodes transverse to fluid flow; process control SAITMACHER KLAUS (DE) 2004-07-08 US disclosed
US-20030083410-A1 Preparation of azo colorants in microreactors and their use in electrophotographic toners and developers, powder coatings, ink jet inks and electronic medias CLARIANT FINANCE ( BVI) LIMITED 2003-05-01 US disclosed
US-6548647-B2 Spraying coupling components in solution or suspension to collide in reactor chamber, then pressurizing to remove; useful for offset printing inks CLARIANT GMBH (DE) 2003-04-15 US disclosed
US-6469147-B2 DIAZOTIZATION CLARIANT FINANCE (BVI) LIMITED (VG) 2002-10-22 US disclosed
US-20020055619-A1 Process for preparing azo colorants CLARIANT GMBH 2002-05-09 US disclosed
US-20010029294-A1 Preparation of azo colorants in microreactors CLARIANT INTERNATIONAL LTD. 2001-10-11 US disclosed
US-4070353-A FOR PLASTICS AND PRINTING INKS, YELLOW TO ORANGE SHADES CIBA-GEIGY CORPORATION (US) 1978-01-24 US disclosed