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SCHEMBL13699232

SCHEMBL13699232

NS(=O)(=O)c1ccc(C(=O)NCCCCCNC(=O)c2cccc(S(=O)(=O)OCCOCCNC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 13/20 0.52
▸ CCR2 P41597 1/20 0.46
▸ CA1 P00915 3/20 0.44
▸ CA7 P43166 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ NAMPT P43490 2/20 0.44
▸ RHOC P08134 1/20 0.42
▸ RHOA P61586 1/20 0.42
▸ HDAC3 O15379 2/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ TP53BP1 Q12888 1/20 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
SCHEMBL13699325 0.93 CA2 (0.48) CA2CCR2CA1CA7CA9
SCHEMBL13699282 0.93 CA2 (0.48) CA2CCR2CA1CA7CA9
SCHEMBL13699191 0.90 NAMPT (0.46) CA2NAMPTRHOCRHOAHDAC3
SCHEMBL13699284 0.90 CA2 (0.50) CA2CCR2CA1CA7CA9
SCHEMBL13699283 0.85 TP53BP1 (0.45) CA2CA1CA9NAMPTRHOC
SCHEMBL13699124 0.83 CA2 (0.52) CA2CCR2CA1CA7CA9
SCHEMBL13699130 0.82 CA2 (0.66) CA2CA1CA7CA9RHOC
SCHEMBL13699235 0.78 CA1 (0.45) CA2CA1CA9NAMPTRHOC
SCHEMBL13699181 0.78 CA1 (0.45) CA2CA1CA9NAMPTRHOC
SCHEMBL13699215 0.75 CA1 (0.47) CA2CA1CA9NAMPTRHOC

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