SCHEMBL4784070

SCHEMBL4784070

O=C(O)/C=C/c1ccc2c(c1)CC(NS(=O)(=O)c1ccc(-c3cccs3)cc1C(F)(F)F)C2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.43
APOB P04114 6/20 0.41
MTTP P55157 6/20 0.41
NR1H3 Q13133 2/20 0.39
HDAC2 Q92769 1/20 0.38
KDM4E B2RXH2 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ERN1 O75460 1/20 0.36
WNT3 P56703 1/20 0.35
SFRP1 Q8N474 1/20 0.35

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
SCHEMBL4784075 1.00 NR1H2 (0.43) NR1H2APOBMTTPNR1H3HDAC2
SCHEMBL4783212 0.89 NR1H2 (0.46) NR1H2APOBMTTPNR1H3KDM4E
SCHEMBL4783220 0.89 NR1H2 (0.46) NR1H2APOBMTTPNR1H3KDM4E
SCHEMBL4780303 0.86 GRIA2 (0.46) NR1H2APOBMTTPNR1H3KDM4E
SCHEMBL4780306 0.86 GRIA2 (0.46) NR1H2APOBMTTPNR1H3KDM4E
SCHEMBL4782252 0.86 NR1H2 (0.46) NR1H2APOBMTTPNR1H3KDM4E
SCHEMBL4782255 0.86 NR1H2 (0.46) NR1H2APOBMTTPNR1H3KDM4E
SCHEMBL4780660 0.85 NR1H2 (0.43) NR1H2APOBMTTPNR1H3KDM4E
SCHEMBL4782116 0.85 NR1H2 (0.43) NR1H2APOBMTTPNR1H3KDM4E
SCHEMBL4780662 0.85 NR1H2 (0.43) NR1H2APOBMTTPNR1H3KDM4E

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