SCHEMBL12629878

SCHEMBL12629878

CC(C)(NS(=O)(=O)c1cccc(OCC2CC2)c1)c1ccc(Cn2cc(F)c(=O)[nH]c2=O)nc1

nearest known ligand 0.77

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 18/20 0.77
▸ CA12 O43570 2/20 0.42
▸ CA1 P00915 2/20 0.42
▸ CA2 P00918 2/20 0.42
▸ CA9 Q16790 2/20 0.42

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
SCHEMBL12629734 0.89 DUT (0.75) DUTCA12CA1CA2CA9
SCHEMBL12629880 0.89 DUT (0.60) DUTCA12CA1CA2CA9
SCHEMBL12629881 0.88 DUT (0.60) DUTCA12CA1CA2CA9
SCHEMBL1409524 0.87 DUT (1.00) DUT
SCHEMBL21536721 0.81 DUT (0.71) DUT
SCHEMBL1409688 0.80 DUT (0.69) DUT
SCHEMBL12696987 0.80 DUT (0.69) DUT
SCHEMBL27806918 0.79 DUT (0.67) DUT
SCHEMBL12629731 0.78 DUT (0.77) DUT
SCHEMBL12629741 0.77 DUT (0.76) DUTCA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011065545-A1 5-FLUOROURACIL COMPOUND HAVING dUTPase-INHIBITING ACTIVITY OR SALT THEREOF 大鵬薬品工業株式会社 (JP) 2011-06-03 — — WO disclosed
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