SCHEMBL6985712

SCHEMBL6985712

CCC(=S)N(C)Oc1ccc(F)nc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.34
CHRNA4 P43681 3/20 0.34
NFE2L2 Q16236 1/20 0.32
PTGES O14684 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL6985716 0.70 CHRNB2 (0.37) CHRNB2CHRNA4NFE2L2MAPT
SCHEMBL24687082 0.69 NQO1 (0.54) CHRNB2CHRNA4NFE2L2
SCHEMBL115868 0.65
SCHEMBL29413312 0.65
SCHEMBL6985714 0.64 CHRNB2 (0.37) CHRNB2CHRNA4
SCHEMBL6985718 0.64 ALDH1A1 (0.35) CHRNB2CHRNA4ALDH1A1
SCHEMBL5173871 0.64 CHRNB2 (0.45) CHRNB2CHRNA4
SCHEMBL5175410 0.64 CHRNB2 (0.45) CHRNB2CHRNA4
SCHEMBL595487 0.63 CHRNB2 (0.44) CHRNB2CHRNA4NFE2L2
SCHEMBL29965553 0.63 CHRNB2 (0.44) CHRNB2CHRNA4NFE2L2

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