SCHEMBL9317239

SCHEMBL9317239

CN(C)OC(=O)c1c(O)cccc1F

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
CA2 P00918 4/20 0.48
CA7 P43166 4/20 0.48
CA9 Q16790 4/20 0.48
CA14 Q9ULX7 4/20 0.48
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
THRB P10828 1/20 0.42
KMT2A Q03164 3/20 0.40
SPR P35270 1/20 0.38
PPIA P62937 1/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL619907 0.80 CA12 (0.77) CA12CA1CA2CA7CA9
SCHEMBL9315569 0.79 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL9567431 0.77 CA12 (0.46) CA12CA1CA2CA7CA9
SCHEMBL17374999 0.76 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL20899341 0.76 CA12 (0.79) CA12CA1CA2CA7CA9
SCHEMBL4946392 0.75 CA12 (0.47) CA12CA1CA2CA7CA9
SCHEMBL467416 0.74 THRB (0.71) CA12CA1CA2CA7CA9
SCHEMBL8959278 0.73 SLC6A3 (0.46) CA12CA1CA2CA7CA9
SCHEMBL9567449 0.71 NPC1 (0.43) KMT2A
SCHEMBL617480 0.71 CA12 (0.70) CA12CA1CA2CA7CA9

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-0426476-B1 Pyrimidine derivatives, their production and use SUMITOMO CHEMICAL CO (JP) 1994-07-27 EP disclosed
US-5300640-A Herbicide intermediates SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-04-05 US disclosed
US-5125957-A Pre- and postemergence herbicides SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-06-30 US disclosed
EP-0426476-A1 Pyrimidine derivatives, their production and use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-05-08 EP disclosed