SCHEMBL1964598

SCHEMBL1964598

CC1(C)CCN(Cc2ccccc2NS(=O)(=O)C(F)(F)F)C(=O)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 6/20 0.39
PTGS2 P35354 6/20 0.39
CA2 P00918 1/20 0.38
TRPC5 Q9UL62 1/20 0.34
HDAC11 Q96DB2 2/20 0.32
CYP2C9 P11712 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
GRM5 P41594 3/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PARG Q86W56 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SLC22A12 Q96S37 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
SCHEMBL27814964 0.82 PTGS1 (0.43) PTGS1PTGS2CA2CYP2C9CNR2
SCHEMBL513962 0.81 PTGS1 (0.39) PTGS1PTGS2CA2SLC22A12
SCHEMBL24370477 0.79 PTGS1 (0.42) PTGS1PTGS2CA2SLC22A12
SCHEMBL1964848 0.79 L3MBTL1 (0.47) PTGS1PTGS2CA2CYP2C9ALDH1A1
SCHEMBL1966561 0.78 PTGS1 (0.39) PTGS1PTGS2CA2TRPC5
SCHEMBL515027 0.77 CA2 (0.39) PTGS1PTGS2CA2TRPC5CYP2C9
SCHEMBL513334 0.77 CA2 (0.39) PTGS1PTGS2CA2TRPC5ALDH1A1
SCHEMBL4918542 0.76 PTGS1 (0.40) PTGS1PTGS2CA2ALDH1A1SLC22A12
SCHEMBL2582217 0.75 PTGS1 (0.39) PTGS1PTGS2CA2SLC22A12
SCHEMBL18344343 0.74 CA2 (0.35) PTGS1PTGS2CA2TRPC5HDAC11

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
EP-2336104-A1 ORTHO-SUBSTITUTED HALOALKYLSULFONANILIDE DERIVATIVE AND HERBICIDE Nissan Chemical Industries, Ltd. (JP) 2011-06-22 EP disclosed