SCHEMBL5139875

SCHEMBL5139875

C=CCNCCN(CCNCC=C)C(c1ccccn1)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 4/20 0.42
KCNH2 Q12809 1/20 0.42
CYP2D6 P10635 1/20 0.40
KCNE1 P15382 1/20 0.40
TSHR P16473 2/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
CHRM2 P08172 2/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
SLC2A1 P11166 1/20 0.35
SUMO3 P55854 1/20 0.35
SUMO2 P61956 1/20 0.35
SUMO1 P63165 1/20 0.35
SLC6A3 Q01959 1/20 0.34
ALDH1A1 P00352 3/20 0.34
CYP2C19 P33261 2/20 0.34

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
SCHEMBL5138972 0.78 KCNA5 (0.43) KCNA5KCNH2CYP2D6KCNE1TSHR
SCHEMBL7139371 0.78 SCN8A (0.47) KCNA5KCNH2CYP2D6KCNE1TSHR
SCHEMBL11367299 0.73 CYP1A2 (0.57) CYP2D6CHRM2SUMO3SUMO2SUMO1
SCHEMBL7519727 0.73 KCNA5 (0.50) KCNA5KCNH2CYP2D6KCNE1TSHR
SCHEMBL18301494 0.70 MAPT (0.55) KCNA5KCNH2CYP2D6KCNE1TSHR
SCHEMBL30195630 0.69 MAPT (0.53) KCNA5KCNH2CYP2D6KCNE1TSHR
SCHEMBL5411231 0.69 CHRM2 (0.56) TSHRCHRM2SUMO3SUMO2SUMO1
SCHEMBL846725 0.69 MAPT (0.53) KCNA5KCNH2CYP2D6KCNE1TSHR
SCHEMBL4084673 0.69 KCNA5 (0.39) KCNA5KCNH2CYP2D6KCNE1TSHR
SCHEMBL11367296 0.69 KCNA5 (0.42) KCNA5KCNH2CYP2D6KCNE1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7335629-B2 Support-fixed bleaching catalyst complex compounds suitable as catalysts for peroxygen compounds HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-02-26 US disclosed
EP-1456337-B1 USE OF SUPPORT-FIXED BLEACHING CATALYST COMPLEX COMPOUNDS AS CATALYSTS FOR PEROXIDE COMPOUNDS HENKEL KGAA (DE) 2007-01-24 EP disclosed
US-7049278-B2 Composition and method for bleaching a substrate UNILEVER HOME AND PERSONAL CARE USA DIVISION OF CONOPCO, INC. (US) 2006-05-23 US disclosed
EP-1409628-B1 LIQUID UNIT DOSE DETERGENT PRODUCT UNILEVER NV (NL) 2006-02-15 EP disclosed
EP-1360268-B1 BLEACHING COMPOSITION OF ENHANCED STABILITY AND A PROCESS FOR MAKING SUCH A COMPOSITION UNILEVER PLC (GB) 2006-01-04 EP disclosed
EP-1109965-B1 METHOD OF TREATING A TEXTILE UNILEVER PLC (GB) 2005-06-01 EP disclosed
US-20040266641-A1 Support-fixed bleaching catalyst complex compounds suitable as catalysts for peroxygen compounds HENKEL AG & CO. KGAA (DE) 2004-12-30 US disclosed
EP-1240302-B1 BLEACHING COMPOSITION UNILEVER NV (NL) 2004-09-29 EP disclosed
EP-1456337-A1 SUPPORT-FIXED BLEACHING CATALYST COMPLEX COMPOUNDS SUITABLE AS CATALYSTS FOR PEROXIDE COMPOUNDS Henkel Kommanditgesellschaft auf Aktien (DE) 2004-09-15 EP disclosed
EP-1109884-B1 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2004-09-01 EP disclosed
US-6340661-B1 FOR BLEACHING FABRIC STAINS WITHOUT UNACCEPTABLE TRANSFER OF DYES BETWEEN FABRICS UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2002-01-22 US disclosed
US-6302921-B1 NON PEROXY BLEACH UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2001-10-16 US disclosed
US-20010025019-A1 Bleaching composition UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2001-09-27 US disclosed
US-20010009271-A1 Bleaching composition UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2001-07-26 US disclosed
EP-1109884-A1 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2001-06-27 EP disclosed
EP-1109965-A1 METHOD OF TREATING A TEXTILE UNILEVER PLC (GB) 2001-06-27 EP disclosed
US-6245115-B1 N,N-BIS(PYRIDIN-2-YL-METHYL)-1,1-BIS(PYRIDIN-2-YL)-1-AMINOETHA NE COMPLEX WITH ACETONITRILE AND PERCHLORIC ACID, WHEREBY THE COMPLEX CATALYSES BLEACHING OF THE TEXTILE BY ATMOSPHERIC OXYGEN UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2001-06-12 US disclosed
US-6242409-B1 PERCHLORATE IRON COMPLEX OF ACETONITRILE AND N,N-BIS(PYRIDIN-2-YL-METHYL)-1,1-BIS(PYRIDIN-2-YL)-1-AMINOETHA NE, THE COMPLEX CATALYSING BLEACHING OF A SUBSTRATE BY THE ATMOSPHERIC OXYGEN; PEROXY BLEACH FREE. UNILEVER HOME & PERSONAL CARE USA 2001-06-05 US disclosed
WO-2000012808-A1 METHOD OF TREATING A TEXTILE UNILEVER PLC (GB) 2000-03-09 WO disclosed
WO-2000012667-A1 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2000-03-09 WO disclosed