SCHEMBL19259568

SCHEMBL19259568

Cn1ccc2ccc(NS(N)(=O)=O)cc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 10/20 0.51
CA2 P00918 10/20 0.51
PKM P14618 1/20 0.47
CYP2A6 P11509 1/20 0.46
GRM4 Q14833 1/20 0.42
HTR6 P50406 2/20 0.42
CA12 O43570 1/20 0.41
CA9 Q16790 1/20 0.41
BRPF1 P55201 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SIRT6 Q8N6T7 1/20 0.39
CFTR P13569 1/20 0.39
PFKFB3 Q16875 1/20 0.39

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
SCHEMBL3590172 0.85 ALDH1A1 (0.55) CA1CA2PKMCYP2A6GRM4
SCHEMBL3599576 0.78 PKM (0.61) CA1CA2PKMHTR6CA12
SCHEMBL2842158 0.77 PKM (0.53) PKMHTR6BRPF1SIRT6
SCHEMBL3427242 0.75 CYP2A6 (0.50) PKMCYP2A6GRM4HTR6CFTR
SCHEMBL30720057 0.75 CYP2A6 (0.50) PKMCYP2A6GRM4HTR6CFTR
SCHEMBL16381773 0.75 CFTR (0.51) PKMCYP2A6ALDH1A1CFTR
SCHEMBL19260071 0.75 CA1 (0.49) CA1CA2GRM4BRPF1
SCHEMBL19329421 0.75 PKM (0.51) CA1CA2PKMHTR6ALDH1A1
SCHEMBL517089 0.75 CYP2A6 (0.50) CA1CA2PKMCYP2A6CA12
SCHEMBL13537281 0.74 CYP2A6 (0.49) PKMCYP2A6GRM4CFTR

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
EP-3416948-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME The University Of Queensland (AU) 2018-12-26 EP disclosed
WO-2017140778-A1 SULFONYLUREAS AND RELATED COMPOUNDS AND USE OF SAME THE UNIVERSITY OF QUEENSLAND (AU) 2017-08-24 WO disclosed