SCHEMBL6985716

SCHEMBL6985716

CCC(=S)NCOc1ccc(F)nc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.37
CHRNA4 P43681 3/20 0.37
PTPN7 P35236 1/20 0.32
DUSP3 P51452 1/20 0.32
NFE2L2 Q16236 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL6985714 0.73 CHRNB2 (0.37) CHRNB2CHRNA4
SCHEMBL24687082 0.73 NQO1 (0.54) CHRNB2CHRNA4NFE2L2
SCHEMBL6985712 0.70 CHRNB2 (0.34) CHRNB2CHRNA4NFE2L2MAPT
SCHEMBL29965553 0.66 CHRNB2 (0.44) CHRNB2CHRNA4NFE2L2
SCHEMBL595487 0.66 CHRNB2 (0.44) CHRNB2CHRNA4NFE2L2
SCHEMBL115754 0.65 CHRNB2 (0.43) CHRNB2CHRNA4NFE2L2
SCHEMBL7594493 0.65 CHRNB2 (0.40) CHRNB2CHRNA4
SCHEMBL7594491 0.65 CHRNB2 (0.40) CHRNB2CHRNA4
SCHEMBL29413312 0.65
SCHEMBL115868 0.65

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-1313704-A2 COMPOUNDS USEFUL AS INSECTICIDES, COMPOUNDS USEFUL AS ACARICIDES, AND PROCESSES TO USE AND MAKE SAME Dow AgroSciences LLC (US) 2003-05-28 EP disclosed
WO-2002018339-A2 COMPOUNDS USEFUL AS INSECTICIDES, COMPOUNDS USEFUL AS ACARICIDES, AND PROCESSES TO USE AND MAKE SAME DOW AGROSCIENCES LLC (US) 2002-03-07 WO disclosed