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SCHEMBL13699282

SCHEMBL13699282

NS(=O)(=O)c1ccc(C(=O)NCCCCCNC(=O)c2cccc(S(=O)(=O)OCCOCCOCCOCCOc3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 13/20 0.48
▸ CA1 P00915 8/20 0.48
▸ CA9 Q16790 7/20 0.48
▸ CA7 P43166 5/20 0.48
▸ CCR2 P41597 1/20 0.44
▸ RHOC P08134 1/20 0.44
▸ RHOA P61586 1/20 0.44
▸ CA14 Q9ULX7 3/20 0.44
▸ NAMPT P43490 2/20 0.42
▸ CA12 O43570 2/20 0.40
▸ HDAC3 O15379 2/20 0.40
▸ HDAC1 Q13547 2/20 0.40

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
SCHEMBL13699325 1.00 CA2 (0.48) CA2CA1CA9CA7CCR2
SCHEMBL13699284 0.97 CA2 (0.50) CA2CA1CA9CA7CCR2
SCHEMBL13699232 0.93 CA2 (0.52) CA2CA1CA9CA7CCR2
SCHEMBL13699181 0.86 CA1 (0.45) CA2CA1CA9RHOCRHOA
SCHEMBL13699235 0.86 CA1 (0.45) CA2CA1CA9RHOCRHOA
SCHEMBL13699215 0.83 CA1 (0.47) CA2CA1CA9RHOCRHOA
SCHEMBL13699191 0.83 NAMPT (0.46) CA2RHOCRHOANAMPTHDAC3
SCHEMBL13699124 0.79 CA2 (0.52) CA2CA1CA9CA7CCR2
SCHEMBL13699283 0.78 TP53BP1 (0.45) CA2CA1CA9RHOCRHOA
SCHEMBL13699130 0.78 CA2 (0.66) CA2CA1CA9CA7RHOC

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-2009113704-A2 FLUORINE-CONTAINING COMPOUND AND METHOD FOR DETECTING BIOMOLECULE USING THE SAME KYOTO UNIVERSITY (JP) 2009-09-17 — — WO disclosed