SCHEMBL4454750

SCHEMBL4454750

CCc1c(S(N)(=O)=O)ccc(F)c1OC

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.36
CA2 P00918 6/20 0.35
CA1 P00915 4/20 0.35
CA9 Q16790 4/20 0.35
CA12 O43570 3/20 0.35
PTGS1 P23219 3/20 0.34
PKM P14618 2/20 0.33
TET2 Q6N021 1/20 0.33
PDIA6 Q15084 1/20 0.33
CA14 Q9ULX7 1/20 0.33
PTGES2 Q9H7Z7 1/20 0.32
CA4 P22748 1/20 0.32
CA7 P43166 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
SCHEMBL4609359 0.82 PKM (0.43) CA2CA1CA9CA12PKM
SCHEMBL28269692 0.81 CA2 (0.38) PTGS2CA2CA1CA9CA12
SCHEMBL4204762 0.75 PKM (0.47) PTGS2CA2CA1CA9CA12
SCHEMBL18209561 0.73 PTGES2 (0.44) CA2CA1CA9CA12CA14
SCHEMBL28043732 0.73 CA2 (0.39) CA2CA1CA9CA12PKM
SCHEMBL3705401 0.70 CA2 (0.47) CA2CA1CA9CA12PKM
SCHEMBL18261777 0.70 PKM (0.36) CA2CA1CA9CA12PKM
SCHEMBL15333692 0.70 PDIA6 (0.39) CA2CA1CA9CA12PDIA6
SCHEMBL4609865 0.69 PKM (0.43) PTGS2CA2CA1CA9CA12
SCHEMBL24707377 0.68 MEP1B (0.38) PTGS2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2114163-A2 PESTICIDAL MIXTURES COMPRISING CYANOSULFOXIMINE COMPOUNDS BASF SE (DE) 2009-11-11 EP claimed
WO-2008125410-A2 PESTICIDAL MIXTURES COMPRISING CYANOSULFOXIMINE COMPOUNDS BASF SE (DE) 2008-10-23 WO claimed
EP-3071036-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS Dow AgroSciences LLC (US) 2016-09-28 EP disclosed
WO-2015061165-A1 PESTICIDAL COMPOSITIONS AND RELATED METHODS DOW AGROSCIENCES LLC (US) 2015-04-30 WO disclosed