SCHEMBL717470

SCHEMBL717470

S=C=Nc1cccnc1N(N=C=S)c1ccccn1.[Co]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.42
ALDH1A1 P00352 2/20 0.34
ABCB11 O95342 1/20 0.34
NR3C1 P04150 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
ADRA2A P08913 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ADRA2C P18825 1/20 0.34
MAOA P21397 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR2B P41595 1/20 0.34
CCR2 P41597 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
POLB P06746 1/20 0.33
MIF P14174 1/20 0.33

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
SCHEMBL4620429 0.82 CYP2D6 (0.38) APLNRALDH1A1CYP1A2ADRA2AHPGD
SCHEMBL21597747 0.67 APLNR (0.56) APLNRALDH1A1ABCB11NR3C1CYP1A2
SCHEMBL27373020 0.65 APLNR (0.50) APLNRALDH1A1ABCB11NR3C1CYP1A2
SCHEMBL7388303 0.65 APLNR (0.58) APLNRALDH1A1ABCB11NR3C1CYP1A2
SCHEMBL23577138 0.63 APLNR (0.61) APLNRALDH1A1ABCB11NR3C1CYP1A2
SCHEMBL190351 0.63 APLNR (0.56) APLNRALDH1A1ABCB11NR3C1CYP1A2
SCHEMBL8978098 0.63 APLNR (0.47) APLNRALDH1A1ABCB11NR3C1CYP1A2
SCHEMBL29374052 0.62 ALDH1A1 (0.62) APLNRALDH1A1ABCB11NR3C1CYP1A2
SCHEMBL207554 0.62 ALDH1A1 (0.62) APLNRALDH1A1ABCB11NR3C1CYP1A2
SCHEMBL29620864 0.61 APLNR (0.53) APLNRALDH1A1ABCB11NR3C1CYP1A2

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 67 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0755429-B1 DETERGENTS CONTAINING A HEAVY METAL SEQUESTRANT AND A DELAYED RELEASE PEROXYACID BLEACH SYSTEM PROCTER & GAMBLE (US) 2004-02-11 EP claimed
US-6093343-A COMPRISING 1% TO 50% TRANSITION METAL-CONTAINING BLEACH CATALYST SELECTED FROM COPPER, COBALT, IRON, TITANIUM, RUTHENIUM, TUNGSTEN, MOLYBDENUM, MANGANESE CATALYSTS, AND MIXTURES THEREOF, 40% TO 99% ENCAPSULATING MATERIAL, WATER THE PROCTER & GAMBLE COMPANY (US) 2000-07-25 US claimed
EP-0796317-B1 AUTOMATIC DISHWASHING COMPOSITION CONTAINING PARTICLES OF DIACYL PEROXIDES PROCTER & GAMBLE (US) 2000-03-01 EP claimed
EP-0763096-B1 BLEACH COMPOSITIONS COMPRISING OLEOYL SARCOSINATE SURFACTANTS PROCTER & GAMBLE (US) 1999-12-15 EP claimed
US-5695679-A CONTROLLED RELEASE OXYGEN RELEASING BLEACHING AGENT, NONPARAFFIN OIL FATTY ACID ESTER SILVER COATING AGENT COMPRISING GLYCERIDES; NONTARNISHING THE PROCTER & GAMBLE COMPANY (US) 1997-12-09 US claimed
EP-0796317-A1 AUTOMATIC DISHWASHING COMPOSITION CONTAINING PARTICLES OF DIACYL PEROXIDES THE PROCTER & GAMBLE COMPANY (US) 1997-09-24 EP claimed
WO-1996017921-A1 AUTOMATIC DISHWASHING COMPOSITION CONTAINING PARTICLES OF DIACYL PEROXIDES THE PROCTER & GAMBLE COMPANY (US) 1996-06-13 WO claimed
EP-0690122-A2 Detergent compositions THE PROCTER & GAMBLE COMPANY (US) 1996-01-03 EP claimed
EP-0677576-A2 Automatic dishwashing composition containing bleach activators THE PROCTER & GAMBLE COMPANY (US) 1995-10-18 EP claimed
US-20120053109-A1 LIQUID DETERGENT FORMULATION CONTAINING PEROXIDE AND A METAL-BASED BLEACH CATALYST CHURCH & DWIGHT CO., INC. (US) 2012-03-01 US disclosed
EP-1697573-B1 METHOD OF LAUNDRY WASHING UNILEVER NV (NL) 2011-02-16 EP disclosed
US-6479450-B1 ENZYME IS COVALENTLY BOUND TO THE TRANSITION METAL COMPOUND USEFUL IN DISINFECTANTS AND LAUNDRY DETERGENTS AS A BLEACHING COMPONENT AND FOR INHIBITING THE TRANSFER OF DYES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-11-12 US disclosed
WO-2002033037-A1 DETERGENT TABLET THE PROCTER & GAMBLE COMPANY (US) 2002-04-25 WO disclosed
WO-2001096522-A1 A PROCESS OF TREATING FABRICS WITH A DETERGENT TABLET COMPRISING AN ION EXCHANGE RESIN THE PROCTER & GAMBLE COMPANY (US) 2001-12-20 WO disclosed
WO-1995028469-A1 DETERGENTS CONTAINING A BUILDER AND A DELAYED RELEASE ENZYME THE PROCTER & GAMBLE COMPANY (US) 1995-10-26 WO disclosed
WO-1995027774-A1 BLEACH COMPOSITIONS COMPRISING METAL-CONTAINING BLEACH CATALYSTS AND ANTIOXIDANTS THE PROCTER & GAMBLE COMPANY (US) 1995-10-19 WO disclosed
EP-0677576-A2 Automatic dishwashing composition containing bleach activators THE PROCTER & GAMBLE COMPANY (US) 1995-10-18 EP disclosed
EP-0392592-B1 Bleach activation UNILEVER NV (NL) 1994-11-30 EP disclosed
US-5114611-A Peroxide bleaching agents and a catalyst of a transition metal complex LEVER BROTHERS COMPANY, DIVISON OF CONOPCO, INC. (US) 1992-05-19 US disclosed
EP-0392592-A2 Bleach activation UNILEVER N.V. (NL) 1990-10-17 EP disclosed