SCHEMBL11516151

SCHEMBL11516151

COc1ccc(S(N)(=O)=O)cc1CCl

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
LMNA P02545 1/20 0.50
CA2 P00918 6/20 0.49
CA1 P00915 5/20 0.49
CA9 Q16790 5/20 0.49
PTGS1 P23219 6/20 0.49
PTGS2 P35354 6/20 0.49
CA12 O43570 2/20 0.47
KDM4E B2RXH2 1/20 0.46
CA4 P22748 2/20 0.45
CA7 P43166 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44

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
Trimethylammonium SCHEMBL2980174 0.95 LMNA (0.47) GAALMNACA2CA1CA9
SCHEMBL7901708 0.86 GAA (0.52) GAALMNACA2CA1CA9
SCHEMBL2851142 0.85 GAA (0.51) GAALMNACA2CA1CA9
SCHEMBL1808166 0.85 GAA (0.51) GAALMNACA2CA1CA9
SCHEMBL1808168 0.83 GAA (0.54) GAALMNACA2CA1CA9
SCHEMBL7904729 0.82 CA2 (0.50) GAALMNACA2CA1CA9
SCHEMBL1808413 0.82 GAA (0.49) GAALMNACA2CA1CA9
SCHEMBL1808414 0.81 GAA (0.51) GAALMNACA2CA1CA9
SCHEMBL12545632 0.81 GAA (0.57) GAALMNACA2CA1CA9
SCHEMBL24478022 0.80 GABRA1 (0.49) GAALMNACA2CA1CA9

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
US-4158060-A PSYCHOLOGICAL DISORDERS SYNTHELABO (FR) 1979-06-12 US disclosed