SCHEMBL4734388

SCHEMBL4734388

CC(C)c1ccccc1S(=O)(=O)NC1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.46
WNT3 P56703 1/20 0.46
SFRP1 Q8N474 1/20 0.46
DRD2 P14416 5/20 0.46
HTR6 P50406 5/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
BRD4 O60885 2/20 0.44
BRD2 P25440 2/20 0.44
BRD3 Q15059 2/20 0.44
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR1A P08908 8/20 0.41
HTR7 P34969 8/20 0.41
HTR2A P28223 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
Hydrochloric Acid SCHEMBL4734829 0.99 CCR8 (0.46) CCR8WNT3SFRP1DRD2HTR6
SCHEMBL15614423 0.90 L3MBTL1 (0.51) DRD2HTR6MAPTALDH1A1L3MBTL1
SCHEMBL4638693 0.83 DRD2 (0.46) CCR8DRD2HTR6MAPTALDH1A1
SCHEMBL6102370 0.81 SFRP1 (0.66) WNT3SFRP1
SCHEMBL4623414 0.81 BRD4 (0.55) CCR8WNT3SFRP1HTR6MAPT
SCHEMBL4782205 0.79 CA1 (0.50) DRD2HTR6MAPTALDH1A1L3MBTL1
SCHEMBL4795211 0.78 SFRP1 (0.53) CCR8WNT3SFRP1MAPTALDH1A1
SCHEMBL15917691 0.78 MAPT (0.74) CCR8WNT3SFRP1MAPTALDH1A1
SCHEMBL4733468 0.78 DRD2 (0.49) CCR8WNT3SFRP1DRD2HTR6
Hydrochloric Acid SCHEMBL4730801 0.77 SFRP1 (0.52) CCR8WNT3SFRP1MAPTALDH1A1

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
WO-2008061016-A1 N-SUBSTITUTED PIPERIDINYL 4 -ARYLSULFONAMIDES AS MODULATORS OF THE SECRETED FRIZZLED RELATED PROTEIN- 1 WYETH (US) 2008-05-22 WO claimed