SCHEMBL4782255

SCHEMBL4782255

O=C(O)C=Cc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(-c3ccccc3C(F)(F)F)cc1C(F)(F)F)C2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.46
APOB P04114 4/20 0.44
MTTP P55157 4/20 0.44
SFRP1 Q8N474 4/20 0.38
WNT3 P56703 1/20 0.38
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NR1H3 Q13133 1/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36

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
SCHEMBL4782252 1.00 NR1H2 (0.46) NR1H2APOBMTTPSFRP1WNT3
SCHEMBL4782116 0.93 NR1H2 (0.43) NR1H2APOBMTTPSFRP1WNT3
SCHEMBL4782122 0.93 NR1H2 (0.43) NR1H2APOBMTTPSFRP1WNT3
SCHEMBL4780660 0.93 NR1H2 (0.43) NR1H2APOBMTTPSFRP1WNT3
SCHEMBL4780662 0.93 NR1H2 (0.43) NR1H2APOBMTTPSFRP1WNT3
SCHEMBL4784710 0.92 APOB (0.47) NR1H2APOBMTTPSFRP1WNT3
SCHEMBL4780011 0.92 NR1H2 (0.45) NR1H2APOBMTTPKDM4EPOLB
SCHEMBL4780014 0.92 NR1H2 (0.45) NR1H2APOBMTTPKDM4EPOLB
SCHEMBL4784701 0.92 APOB (0.47) NR1H2APOBMTTPSFRP1WNT3
SCHEMBL4783212 0.92 NR1H2 (0.46) NR1H2APOBMTTPSFRP1WNT3

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-2008061006-A1 SUBSTITUTED INDAN-2-YL, TETRAHYDRONAPHTHALEN-2-YL, OR DIHYDR0-2H-CHR0MEN-3-YL ARYLSULFONAMIDES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO claimed
WO-2008061006-A1 SUBSTITUTED INDAN-2-YL, TETRAHYDRONAPHTHALEN-2-YL, OR DIHYDR0-2H-CHR0MEN-3-YL ARYLSULFONAMIDES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO disclosed