SCHEMBL16852949

SCHEMBL16852949

C=CCCC1CCc2ccccc2S(=O)(=O)NC1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
ACHE P22303 1/20 0.30

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
SCHEMBL16852800 0.80 GRIA2 (0.36) GRIA2
SCHEMBL16852807 0.72 CA1 (0.39) GRIA2
SCHEMBL18186782 0.70 KEAP1 (0.41) GRIA2
SCHEMBL30620251 0.68 CAPN1 (0.35) GRIA2
SCHEMBL20269098 0.68 CAPN1 (0.35) GRIA2
SCHEMBL20283264 0.68 CAPN1 (0.35) GRIA2
SCHEMBL18733699 0.68 CAPN1 (0.35) GRIA2
SCHEMBL31306077 0.68 CAPN1 (0.35) GRIA2
SCHEMBL20284973 0.67 PSEN1 (0.35) GRIA2ACHE
SCHEMBL710185 0.65 KEAP1 (0.50) GRIA2SIGMAR1

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-2015092713-A1 NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-06-25 WO disclosed