SCHEMBL4780533

SCHEMBL4780533

[O]c1ccc2c(c1)CC(NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 3/20 0.43
PFKFB3 Q16875 1/20 0.37
CNR2 P34972 5/20 0.36
SFRP1 Q8N474 2/20 0.36
WNT3 P56703 1/20 0.36
HDAC8 Q9BY41 2/20 0.36
ADRA2A P08913 1/20 0.36
NPY5R Q15761 1/20 0.36
MCHR1 Q99705 1/20 0.36
PPARG P37231 1/20 0.36
GRIA2 P42262 2/20 0.35
CNR1 P21554 4/20 0.34
APOB P04114 2/20 0.34
MTTP P55157 2/20 0.34

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 0.93 NR1H2 (0.46) NR1H2PFKFB3CNR2SFRP1WNT3
SCHEMBL4784546 0.88 NR1H2 (0.46) NR1H2PFKFB3CNR2SFRP1WNT3
SCHEMBL4780535 0.87 NR1H2 (0.44) NR1H2PFKFB3CNR2SFRP1WNT3
SCHEMBL4782680 0.86 NR1H2 (0.39) NR1H2PFKFB3CNR2SFRP1WNT3
SCHEMBL4785515 0.85 NR1H2 (0.41) NR1H2PFKFB3CNR2SFRP1WNT3
SCHEMBL4784502 0.84 TRPV4 (0.45) NR1H2CNR2SFRP1GRIA2
SCHEMBL4785610 0.84 NR1H2 (0.54) NR1H2SFRP1WNT3APOBMTTP
SCHEMBL2372639 0.84 CNR2 (0.48) PFKFB3CNR2SFRP1WNT3ADRA2A
SCHEMBL4782504 0.83 NR1H2 (0.55) NR1H2SFRP1WNT3APOBMTTP
SCHEMBL4783415 0.83 NR1H2 (0.41) NR1H2CNR2GRIA2CNR1

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