SCHEMBL4784701

SCHEMBL4784701

O=C(O)/C=C/c1ccc2c(c1)CC(NS(=O)(=O)c1ccc(-c3ccccc3C(=O)O)cc1C(F)(F)F)C2

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APOB P04114 10/20 0.47
MTTP P55157 9/20 0.47
NR1H2 P55055 4/20 0.43
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
SFRP1 Q8N474 3/20 0.37
WNT3 P56703 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37
GAA P10253 1/20 0.36
HTT P42858 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
SCHEMBL4784710 1.00 APOB (0.47) APOBMTTPNR1H2KDM4EPOLB
SCHEMBL4783976 0.94 APOB (0.48) APOBMTTPNR1H2
SCHEMBL4783986 0.94 APOB (0.48) APOBMTTPNR1H2
SCHEMBL4783336 0.94 APOB (0.46) APOBMTTPNR1H2SFRP1WNT3
SCHEMBL4783344 0.94 APOB (0.46) APOBMTTPNR1H2SFRP1WNT3
SCHEMBL4782255 0.92 NR1H2 (0.46) APOBMTTPNR1H2KDM4EPOLB
SCHEMBL4782252 0.92 NR1H2 (0.46) APOBMTTPNR1H2KDM4EPOLB
SCHEMBL4780660 0.91 NR1H2 (0.43) APOBMTTPNR1H2KDM4EPOLB
SCHEMBL4782116 0.91 NR1H2 (0.43) APOBMTTPNR1H2KDM4EPOLB
SCHEMBL4780662 0.91 NR1H2 (0.43) APOBMTTPNR1H2KDM4EPOLB

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