SCHEMBL4741863

SCHEMBL4741863

O=C(O)c1ccc(C(F)(F)F)c(S(=O)(=O)N2CCOCC2)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSTO1 P78417 1/20 0.60
PKM P14618 1/20 0.56
ALDH1A1 P00352 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 2/20 0.51
TSHR P16473 2/20 0.51
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
CNR2 P34972 3/20 0.48
CNR1 P21554 2/20 0.48
TP53 P04637 1/20 0.47
USP2 O75604 1/20 0.47

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
SCHEMBL14100591 0.89 GSTO1 (0.62) GSTO1PKMALDH1A1LMNATSHR
SCHEMBL14100395 0.88 TDP1 (0.66) SMN1; SMN2NPC1RAB9ATDP1KMT2A
SCHEMBL7664954 0.84 PKM (0.61) PKMALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4741333 0.84 TDP1 (0.50) GSTO1ALDH1A1SMN1; SMN2TDP1KMT2A
SCHEMBL4717858 0.83 LMNA (0.70) PKMALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL7659574 0.81 PKM (0.61) PKMALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL4716079 0.81 TDP1 (0.76) PKMALDH1A1SMN1; SMN2RAB9ATDP1
SCHEMBL4252422 0.80 SMN1; SMN2 (0.77) PKMALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL3406021 0.80 GSTO1 (0.61) GSTO1PKMALDH1A1SMN1; SMN2RAB9A
SCHEMBL3949541 0.80 CNR2 (0.66) PKMALDH1A1SMN1; SMN2NPC1RAB9A

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
WO-2008098025-A1 ARYLSULFONAMIDE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-14 WO disclosed
WO-2008098025-A1 ARYLSULFONAMIDE COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-08-14 WO disclosed