SCHEMBL7111140

SCHEMBL7111140

O=c1scc(-c2ccc(S)c(F)c2)n1-c1cccc(OC(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.35
PDE10A Q9Y233 4/20 0.34
DHODH Q02127 4/20 0.34
RXRA P19793 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
LDHA P00338 1/20 0.33
NOTUM Q6P988 1/20 0.33
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
CHRM5 P08912 1/20 0.32
PIM1 P11309 1/20 0.32
PIM2 Q9P1W9 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
SCHEMBL7109230 0.89 POLB (0.38) DHODHNOTUMCHRM5
SCHEMBL6725969 0.83 PTGES2 (0.38) DYRK1APDE10ADHODHCHRM5PIM1
SCHEMBL6725490 0.83 PIM1 (0.35) DYRK1APDE10ADHODHCHRM5PIM1
SCHEMBL7111728 0.82 SCN5A (0.35)
SCHEMBL6729851 0.81 PTGES2 (0.35) DYRK1APDE10ADHODHLDHANOTUM
SCHEMBL7115763 0.77 ALKBH5 (0.36) NOTUM
SCHEMBL7111700 0.77 KAT2B (0.31)
SCHEMBL7115556 0.76 NPC1 (0.36)
SCHEMBL7114074 0.76 PIK3CA (0.32) PDE4BPDE4D
SCHEMBL7110053 0.73 PTGS2 (0.32)

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-1296971-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION Pharmacia Corporation (US) 2003-04-02 EP disclosed
WO-2001081332-A2 2-FLUOROBENZENESULFONYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION PHARMACIA CORPORATION (US) 2001-11-01 WO disclosed