SCHEMBL4732746

SCHEMBL4732746

O=S(=O)(NC1CCc2ccccc2C1)c1ccccc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56
PNMT P11086 1/20 0.47
NR1H2 P55055 1/20 0.46
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
SFRP1 Q8N474 2/20 0.44
WNT3 P56703 1/20 0.44
SLC22A12 Q96S37 5/20 0.44
HDAC8 Q9BY41 2/20 0.43
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL4784882 0.90 NR1H2 (0.53) CA1CA2NR1H2PSEN1PSEN2
SCHEMBL4783662 0.86 CA1 (0.49) CA1CA2PNMTNR1H2SFRP1
SCHEMBL4783169 0.86 CA1 (0.49) CA1CA2PNMTNR1H2SFRP1
SCHEMBL4783899 0.86 CA1 (0.49) CA1CA2PNMTNR1H2SFRP1
SCHEMBL4785610 0.80 NR1H2 (0.54) NR1H2SFRP1WNT3SLC22A12MEN1
SCHEMBL4731532 0.80 NR1H2 (0.43) NR1H2SFRP1WNT3SLC22A12MEN1
SCHEMBL4783738 0.79 NR1H2 (0.55) CA1CA2NR1H2SFRP1WNT3
SCHEMBL4782504 0.79 NR1H2 (0.55) NR1H2SFRP1WNT3SLC22A12
SCHEMBL4784035 0.79 NR1H2 (0.46) NR1H2SFRP1WNT3SLC22A12MEN1
SCHEMBL4784555 0.78 CA1 (0.51) CA1CA2PNMTPSEN1PSEN2

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