SCHEMBL4733742

SCHEMBL4733742

O=C(O)c1ccc2c(c1)CC(NS(=O)(=O)c1ccccc1C(F)(F)F)C2

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.55
SFRP1 Q8N474 13/20 0.51
ALKBH2 Q6NS38 1/20 0.50
ALKBH3 Q96Q83 1/20 0.50
FTO Q9C0B1 1/20 0.50
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
WNT3 P56703 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
APOB P04114 2/20 0.43
MTTP P55157 2/20 0.43

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
SCHEMBL4618135 0.87 SFRP1 (0.69) SFRP1WNT3
SCHEMBL4783738 0.85 NR1H2 (0.55) NR1H2SFRP1MEN1ALDH1A1KMT2A
SCHEMBL4784882 0.84 NR1H2 (0.53) NR1H2SFRP1MEN1ALDH1A1KMT2A
SCHEMBL4785610 0.83 NR1H2 (0.54) NR1H2SFRP1MEN1KMT2AWNT3
SCHEMBL4782504 0.82 NR1H2 (0.55) NR1H2SFRP1WNT3APOBMTTP
SCHEMBL4782285 0.82 NR1H2 (0.51) NR1H2SFRP1WNT3APOBMTTP
SCHEMBL4783485 0.82 NR1H2 (0.54) NR1H2SFRP1MEN1ALDH1A1KMT2A
SCHEMBL4781127 0.82 NR1H2 (0.51) NR1H2SFRP1WNT3APOBMTTP
SCHEMBL4782289 0.82 NR1H2 (0.51) NR1H2SFRP1WNT3APOBMTTP
SCHEMBL4781448 0.81 NR1H2 (0.57) NR1H2SFRP1MEN1KMT2AWNT3

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