SCHEMBL17429341

SCHEMBL17429341

N#COS(=O)(=O)Oc1ccc(C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.59
CA2 P00918 4/20 0.59
CA9 Q16790 3/20 0.59
KIF11 P52732 5/20 0.54
KMT2A Q03164 1/20 0.39
ENPP3 O14638 5/20 0.38
ENPP1 P22413 4/20 0.38
ENPP2 Q13822 4/20 0.38
ALDH1A1 P00352 1/20 0.36
TRPV4 Q9HBA0 1/20 0.36

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
SCHEMBL28390592 0.84 CA2 (0.73) CA1CA2CA9KIF11KMT2A
SCHEMBL17429347 0.83 CA2 (0.39) CA1CA2CA9KIF11ENPP3
SCHEMBL17429358 0.79 CA2 (0.52) CA1CA2CA9KMT2AALDH1A1
SCHEMBL17429345 0.79 CA2 (0.48) CA1CA2CA9KMT2A
SCHEMBL408478 0.76 CA1 (0.68) CA1CA2CA9KIF11KMT2A
SCHEMBL16140137 0.76 CA2 (0.68) CA1CA2CA9KIF11KMT2A
SCHEMBL17429307 0.76 KIF11 (0.47) CA1CA2CA9KIF11KMT2A
SCHEMBL9451383 0.75 CA2 (1.00) CA1CA2CA9KIF11KMT2A
SCHEMBL6937934 0.75 CA1 (0.66) CA1CA2CA9KIF11KMT2A
SCHEMBL31306825 0.75 CA1 (0.66) CA1CA2CA9KIF11KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9947965-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery using same MITSUBISHI CHEMICAL CORPORATION (JP) 2018-04-17 US disclosed
US-20160013517-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2016-01-14 US disclosed