SCHEMBL4784546

SCHEMBL4784546

O=S(=O)(NC1Cc2ccccc2C1)c1ccc(Br)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.46
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
PFKFB3 Q16875 1/20 0.42
SFRP1 Q8N474 2/20 0.41
WNT3 P56703 1/20 0.41
SLC22A12 Q96S37 1/20 0.40
CNR2 P34972 5/20 0.40
CNR1 P21554 4/20 0.40
MCHR1 Q99705 3/20 0.40
ADRA2A P08913 2/20 0.40
NPY5R Q15761 2/20 0.40
PPARG P37231 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 1/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38

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
SCHEMBL4794680 0.92 NR1H2 (0.46) NR1H2PFKFB3SFRP1WNT3CNR2
SCHEMBL4783899 0.92 CA1 (0.49) NR1H2CA1CA2PFKFB3SFRP1
SCHEMBL4783662 0.92 CA1 (0.49) NR1H2CA1CA2PFKFB3SFRP1
SCHEMBL4783169 0.92 CA1 (0.49) NR1H2CA1CA2PFKFB3SFRP1
SCHEMBL4780533 0.88 NR1H2 (0.43) NR1H2PFKFB3SFRP1WNT3CNR2
SCHEMBL4782504 0.88 NR1H2 (0.55) NR1H2SFRP1WNT3SLC22A12MAPT
SCHEMBL4732292 0.87 SFRP1 (0.39) NR1H2PFKFB3SFRP1WNT3SLC22A12
SCHEMBL4733218 0.87 SFRP1 (0.39) NR1H2PFKFB3SFRP1WNT3SLC22A12
SCHEMBL4733090 0.87 SFRP1 (0.39) NR1H2PFKFB3SFRP1WNT3SLC22A12
SCHEMBL4780535 0.87 NR1H2 (0.44) NR1H2CA1CA2PFKFB3SFRP1

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