SCHEMBL1963457

SCHEMBL1963457

O=S(=O)(Nc1ccccc1CN1CCCCC1=S)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 12/20 0.42
PTGS2 P35354 11/20 0.42
CA2 P00918 1/20 0.41
AGTR2 P50052 1/20 0.36
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.33
SLC22A12 Q96S37 1/20 0.33

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
SCHEMBL1964848 0.88 L3MBTL1 (0.47) PTGS1PTGS2CA2AGTR2KMT2A
SCHEMBL1967281 0.82 MAPT (0.54) PTGS1PTGS2CA2KMT2A
SCHEMBL27834731 0.81 ALDH1A1 (0.49) PTGS1PTGS2CA2KMT2A
SCHEMBL2579885 0.79 GRIN1 (0.40) PTGS1PTGS2CA2
SCHEMBL16862440 0.78 CA2 (0.36) PTGS1PTGS2CA2AGTR2KMT2A
SCHEMBL16862444 0.77 CA2 (0.38) PTGS1PTGS2CA2LMNA
SCHEMBL514838 0.75 PTGS1 (0.38) PTGS1PTGS2CA2
SCHEMBL1964543 0.75 PTGS1 (0.40) PTGS1PTGS2CA2LMNA
SCHEMBL4914436 0.74 PTGS1 (0.39) PTGS1PTGS2CA2SLC22A12
SCHEMBL514430 0.74 CA2 (0.39) PTGS1PTGS2CA2AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102137841-B Ortho-substituted haloalkylsulfonanilide derivative and herbicide NISSAN CHEMICAL IND LTD 2014-05-14 CN disclosed
CN-102137841-A Ortho-substituted haloalkylsulfonanilide derivative and herbicide NISSAN CHEMICAL IND LTD 2011-07-27 CN disclosed
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP disclosed