SCHEMBL12629741

SCHEMBL12629741

CC(C)(NS(=O)(=O)c1cccc(OCC(F)F)c1)c1ccc(Cn2cc(F)c(=O)[nH]c2=O)cc1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DUT P33316 16/20 0.76
▸ MMP10 P09238 1/20 0.39
▸ MMP13 P45452 1/20 0.39
▸ CA12 O43570 2/20 0.39
▸ CA1 P00915 2/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA9 Q16790 2/20 0.39
▸ LMNA P02545 1/20 0.38

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
SCHEMBL12629881 0.89 DUT (0.60) DUTCA12CA1CA2CA9
SCHEMBL12629734 0.88 DUT (0.75) DUTCA12CA1CA2CA9
SCHEMBL12629736 0.84 DUT (0.75) DUTMMP10MMP13CA12CA1
SCHEMBL12630248 0.80 DUT (0.76) DUTMMP10MMP13LMNA
SCHEMBL20351363 0.79 DUT (0.68) DUT
SCHEMBL12630519 0.79 DUT (0.66) DUTLMNA
SCHEMBL18379760 0.78 DUT (0.66) DUT
SCHEMBL12629878 0.77 DUT (0.77) DUTCA12CA1CA2CA9
SCHEMBL20351362 0.77 DUT (0.64) DUT
SCHEMBL12629880 0.75 DUT (0.60) 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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