SCHEMBL4783485

SCHEMBL4783485

O=C(O)COc1ccc2c(c1)CC(NS(=O)(=O)c1ccccc1C(F)(F)F)C2

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.54
SFRP1 Q8N474 11/20 0.45
WNT3 P56703 4/20 0.42
AGER Q15109 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
APOB P04114 2/20 0.41
MTTP P55157 2/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4907973 0.91 NR1H2 (0.46) NR1H2ALOX15TSHRHSD17B10ADRB1
SCHEMBL4637035 0.88 SFRP1 (0.62) SFRP1WNT3
SCHEMBL4783187 0.87 NR1H2 (0.44) NR1H2SFRP1AGERALOX15TSHR
SCHEMBL4782872 0.85 NR1H2 (0.49) NR1H2SFRP1WNT3MEN1ALDH1A1
SCHEMBL4781822 0.85 NR1H2 (0.42) NR1H2SFRP1WNT3AGERALOX15
SCHEMBL4781448 0.83 NR1H2 (0.57) NR1H2SFRP1WNT3MEN1KMT2A
SCHEMBL10391218 0.82 APOB (0.52) NR1H2ALOX15TSHRHSD17B10ADRB1
SCHEMBL4781466 0.82 NR1H2 (0.47) NR1H2SFRP1APOBMTTP
SCHEMBL4733742 0.82 NR1H2 (0.55) NR1H2SFRP1WNT3APOBMTTP
SCHEMBL4781127 0.82 NR1H2 (0.51) NR1H2SFRP1WNT3APOBMTTP

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