SCHEMBL3789486

SCHEMBL3789486

CCCNS(=O)(=O)NCC

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.83
PPARA Q07869 3/20 0.62
CA2 P00918 6/20 0.59
CA12 O43570 6/20 0.59
CA14 Q9ULX7 4/20 0.59
CA7 P43166 2/20 0.59
CA9 Q16790 3/20 0.38
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
ALDH1A1 P00352 1/20 0.32
ADH1B P00325 1/20 0.32
ADH1A P07327 1/20 0.32
ADH7 P40394 1/20 0.32

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
SCHEMBL9651043 0.91 CA1 (1.00) CA1PPARACA2CA12CA14
SCHEMBL3871336 0.85
SCHEMBL3803009 0.80 PPARA (0.79) CA1PPARACA2CA12CA14
SCHEMBL27806975 0.79 CA1 (0.52) CA1PPARACA2CA12CA14
SCHEMBL41949 0.78
SCHEMBL6961119 0.78 CA1 (0.57) CA1PPARACA2CA12CA14
SCHEMBL3117611 0.77 PPARA (1.00) CA1PPARACA2CA12CA14
SCHEMBL18644318 0.77 PPARA (1.00) CA1PPARACA2CA12CA14
SCHEMBL3120899 0.77 PPARA (1.00) CA1PPARACA2CA12CA14
SCHEMBL3119510 0.77 PPARA (1.00) CA1PPARACA2CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168181-B1 MIXTURES FOR PRODUCING PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTODETECTORS HELIATEK GMBH (DE) 2021-05-12 EP disclosed
US-20100140559-A1 MIXTURES FOR PRODUCING PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTODETECTORS BASF SE (DE) 2010-06-10 US disclosed
EP-2168181-A1 MIXTURES FOR PRODUCING PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTODETECTORS BASF SE (DE) 2010-03-31 EP disclosed
WO-2009007340-A1 MIXTURES FOR PRODUCING PHOTOACTIVE LAYERS FOR ORGANIC SOLAR CELLS AND ORGANIC PHOTODETECTORS BASF SE (DE) 2009-01-15 WO disclosed