SCHEMBL4741333

SCHEMBL4741333

O=C(O)c1ccc(C(F)(F)F)c(S(=O)(=O)N2CCC(F)(F)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
SFRP1 Q8N474 2/20 0.45
GSTO1 P78417 1/20 0.43
CNR2 P34972 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TTR P02766 1/20 0.39
MAPT P10636 1/20 0.39
IL1RN P18510 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL14100610 0.89 GSTO1 (0.45) TDP1SMN1; SMN2KMT2AMEN1SFRP1
SCHEMBL14100395 0.87 TDP1 (0.66) TDP1SMN1; SMN2KMT2AMEN1SFRP1
SCHEMBL4741863 0.84 GSTO1 (0.60) TDP1SMN1; SMN2KMT2AMEN1GSTO1
SCHEMBL22499575 0.83 TDP1 (0.53) TDP1SMN1; SMN2KMT2AMAPTTP53
SCHEMBL29400012 0.83 TDP1 (0.53) TDP1SMN1; SMN2KMT2AMAPTTP53
SCHEMBL4741871 0.79 HSD17B10 (0.42) TDP1KMT2AMEN1GSTO1ALDH1A1
SCHEMBL22499574 0.74 TDP1 (0.40) TDP1SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL29384429 0.74 TDP1 (0.40) TDP1SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL26144861 0.74 MAPT (0.72) TDP1SMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL4741864 0.73 KMT2A (0.49) KMT2AMEN1CNR2ALDH1A1

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