SCHEMBL13617879

SCHEMBL13617879

Nc1ccc(NS(=O)(=O)c2cccc(CBr)c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.59
KEAP1 Q14145 1/20 0.59
PKM P14618 2/20 0.58
POLB P06746 1/20 0.55
KMT2A Q03164 2/20 0.51
CA1 P00915 2/20 0.51
CA2 P00918 2/20 0.51
PGR P06401 4/20 0.50
HTT P42858 1/20 0.50
CA9 Q16790 1/20 0.50
BRD4 O60885 1/20 0.49

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
SCHEMBL13617420 0.87 HTR6 (0.66) HTR6PKMPOLBKMT2ACA1
SCHEMBL18382568 0.84 KEAP1 (0.76) HTR6KEAP1PKMPOLBKMT2A
SCHEMBL13412105 0.82 AR (0.55) HTR6PKMCA1CA2PGR
SCHEMBL28121844 0.80 PKM (0.72) HTR6KEAP1PKMPOLBKMT2A
SCHEMBL18382566 0.80 KEAP1 (0.69) HTR6KEAP1PKMPOLBKMT2A
SCHEMBL13618096 0.78 HTR6 (0.48) HTR6POLBKMT2A
SCHEMBL29118882 0.77 PGR (0.65) HTR6KEAP1PKMPOLBKMT2A
SCHEMBL28121847 0.77 PGR (0.73) KEAP1PKMPOLBPGR
SCHEMBL3081180 0.76 KEAP1 (1.00) HTR6KEAP1PKMPOLBKMT2A
SCHEMBL13412107 0.75 PGR (0.52) HTR6PGRBRD4

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
EP-1817296-B1 POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-11-04 EP disclosed