SCHEMBL28617028

SCHEMBL28617028

NS(=O)(=O)c1ccc(OCCOc2ccc(Br)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA2 P00918 13/20 0.73
CA12 O43570 12/20 0.73
CA9 Q16790 12/20 0.73
CA1 P00915 11/20 0.73
CA7 P43166 8/20 0.73
TSHR P16473 1/20 0.66
CA4 P22748 5/20 0.57
HRH3 Q9Y5N1 5/20 0.55
KCNH2 Q12809 2/20 0.54
ALDH1A1 P00352 2/20 0.53
POLB P06746 1/20 0.53
HTT P42858 1/20 0.53
CA5A P35218 1/20 0.53
CA5B Q9Y2D0 1/20 0.53

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
SCHEMBL22029406 0.89 CA2 (0.72) CA2CA12CA9CA1CA7
SCHEMBL22029372 0.84 CA2 (1.00) CA2CA12CA9CA1CA7
SCHEMBL7463865 0.83 CA12 (0.68) CA2CA12CA9CA1CA7
SCHEMBL22080317 0.82 HTT (0.79) CA2CA12CA9CA1CA7
SCHEMBL19891669 0.82 CA12 (0.79) CA2CA12CA9CA1CA7
SCHEMBL183959 0.82 CA2 (1.00) CA2CA12CA9CA1CA7
SCHEMBL1109857 0.81 CA12 (0.71) CA2CA12CA9CA1CA7
SCHEMBL9053758 0.81 CA1 (0.71) CA2CA12CA9CA1CA7
SCHEMBL9451265 0.81 CA1 (0.55) CA2CA12CA9CA1CA7
SCHEMBL18876701 0.81 CA12 (0.60) CA2CA12CA9CA1CA7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113423691-A Peptide binding agents 赛诺菲 2021-09-21 CN disclosed
CN-113395982-A Insulin conjugates 赛诺菲 2021-09-14 CN disclosed