SCHEMBL19379986

SCHEMBL19379986

CC(=O)Nc1cccc(NC(=O)Nc2ccc(S(N)(=O)=O)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.73
CA12 O43570 12/20 0.73
CA1 P00915 12/20 0.73
CA9 Q16790 12/20 0.73
KMT2A Q03164 3/20 0.70
MEN1 O00255 1/20 0.70
L3MBTL1 Q9Y468 1/20 0.70
CA5A P35218 1/20 0.65
CA5B Q9Y2D0 1/20 0.65
ALDH1A1 P00352 2/20 0.64
MAPT P10636 2/20 0.64
TP53 P04637 1/20 0.64
PTPN7 P35236 1/20 0.63

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
Acetylsulfanilamide SCHEMBL359721 0.86 CA1 (1.00) CA2CA12CA1CA9KMT2A
SCHEMBL13784930 0.85 CA2 (0.76) CA2CA12CA1CA9KMT2A
SCHEMBL20822237 0.85 CA2 (0.76) CA2CA12CA1CA9KMT2A
Acetylsulfanilamide SCHEMBL28550936 0.84 CA1 (0.96) CA2CA12CA1CA9KMT2A
Acetylsulfanilamide SCHEMBL8190989 0.84 CA1 (0.96) CA2CA12CA1CA9KMT2A
Acetylsulfanilamide SCHEMBL8043497 0.84 CA1 (0.96) CA2CA12CA1CA9KMT2A
SCHEMBL20822191 0.84 CA2 (0.72) CA2CA12CA1CA9KMT2A
Acetylsulfanilamide SCHEMBL17360801 0.83 CA1 (0.86) CA2CA12CA1CA9KMT2A
SCHEMBL7495027 0.83 CA1 (0.69) CA2CA12CA1CA9MAPT
SCHEMBL671546 0.82 CA2 (1.00) CA2CA12CA1CA9KMT2A

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-2017161170-A1 CARBONIC ANHYDRASE IX TARGETING AGENTS AND METHODS PURDUE RESEARCH FOUNDATION (US) 2017-09-21 WO disclosed