SCHEMBL1122637

SCHEMBL1122637

O=S(=O)(C=Cc1c(F)c(F)c(F)c(F)c1F)Nc1ncc[nH]1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.33
ADRA2A P08913 3/20 0.33
ADRA2C P18825 3/20 0.33
PKM P14618 1/20 0.31
KMT2A Q03164 1/20 0.31
ADRA1D P25100 2/20 0.31
ADRA1A P35348 2/20 0.31
ADRA1B P35368 2/20 0.31
PTGES2 Q9H7Z7 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
SCHEMBL1122635 1.00 FDPS (0.33) FDPSADRA2AADRA2CPKMKMT2A
SCHEMBL19708649 0.68 FDPS (0.42) FDPSADRA2AADRA2CADRA1DADRA1A
SCHEMBL28882502 0.68 FDPS (0.46) FDPSADRA2AADRA2CADRA1DADRA1A
SCHEMBL1122530 0.67 SCN9A (0.32) PKMKMT2APTGES2
SCHEMBL1122528 0.67 SCN9A (0.32) PKMKMT2APTGES2
SCHEMBL1324942 0.66 VCP (0.38) PKMKMT2APTGES2
SCHEMBL1324203 0.66 VCP (0.38) PKMKMT2APTGES2
SCHEMBL1324206 0.66 VCP (0.38) PKMKMT2APTGES2
SCHEMBL19700365 0.64 FDPS (0.39) FDPSADRA2AADRA2CADRA1DADRA1A
SCHEMBL20936102 0.64 FDPS (0.42) FDPSADRA2AADRA2CADRA1DADRA1A

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-1379508-B9 N-(ARYL)-2-ARYLETHENESULFONAMIDES AND THERAPEUTIC USES THEREOF UNIV TEMPLE (US) 2011-02-09 EP disclosed
EP-1379508-B1 N-(ARYL)-2-ARYLETHENESULFONAMIDES AND THERAPEUTIC USES THEREOF UNIV TEMPLE (US) 2010-09-01 EP disclosed