SCHEMBL13625624

SCHEMBL13625624

NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(OCCF)cc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 11/20 0.72
▸ CA2 P00918 11/20 0.72
▸ CA9 Q16790 10/20 0.72
▸ CA12 O43570 8/20 0.72
▸ MEN1 O00255 5/20 0.64
▸ KMT2A Q03164 5/20 0.64
▸ CACNA1B Q00975 1/20 0.64
▸ APBA1 Q02410 1/20 0.64
▸ RXFP1 Q9HBX9 1/20 0.62
▸ GPR35 Q9HC97 1/20 0.62
▸ CA7 P43166 2/20 0.61
▸ CA14 Q9ULX7 2/20 0.61
▸ POLB P06746 1/20 0.59

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
SCHEMBL4301505 0.83 CA1 (0.80) CA1CA2CA9CA12MEN1
SCHEMBL4312183 0.81 MEN1 (0.93) CA1CA2CA9CA12MEN1
SCHEMBL4305965 0.80 CA1 (0.89) CA1CA2CA9CA12MEN1
SCHEMBL13401865 0.79 CA1 (0.86) CA1CA2CA9CA12MEN1
SCHEMBL15888499 0.79 CA1 (0.86) CA1CA2CA9CA12MEN1
SCHEMBL30628487 0.79 CA1 (0.86) CA1CA2CA9CA12MEN1
SCHEMBL6046379 0.79 MEN1 (0.90) CA1CA2CA9CA12MEN1
SCHEMBL8868584 0.79 CA2 (0.86) CA1CA2CA9CA12MEN1
SCHEMBL11807861 0.77 MEN1 (0.87) CA1CA2CA9CA12MEN1
SCHEMBL28582955 0.77 MEN1 (1.00) CA1CA2CA9CA12MEN1

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-2009140743-A2 BLOOD IMAGING KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2009-11-26 — — WO disclosed
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