SCHEMBL12629880

SCHEMBL12629880

CC(C)(NS(=O)(=O)c1cccc(OC2CCCC2)c1)c1ccc(Cn2cc(F)c(=O)[nH]c2=O)nc1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 15/20 0.60
▸ CA12 O43570 3/20 0.41
▸ CA1 P00915 3/20 0.41
▸ CA2 P00918 3/20 0.41
▸ CA9 Q16790 3/20 0.41

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
SCHEMBL12629878 0.89 DUT (0.77) DUTCA12CA1CA2CA9
SCHEMBL12629736 0.88 DUT (0.75) DUTCA12CA1CA2CA9
SCHEMBL12629881 0.86 DUT (0.60) DUTCA12CA1CA2CA9
SCHEMBL12630200 0.81 DUT (0.56) DUT
SCHEMBL12629734 0.78 DUT (0.75) DUTCA12CA1CA2CA9
SCHEMBL1409524 0.75 DUT (1.00) DUT
SCHEMBL12629741 0.75 DUT (0.76) DUTCA12CA1CA2CA9
SCHEMBL20189654 0.71 DUT (0.70) DUT
SCHEMBL12629721 0.70 DUT (0.67) DUT
SCHEMBL12629740 0.70 DUT (0.75) DUT

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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