SCHEMBL4782504

SCHEMBL4782504

O=S(=O)(NC1Cc2ccc(Br)cc2C1)c1ccccc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.55
SLC22A12 Q96S37 5/20 0.46
SFRP1 Q8N474 4/20 0.44
WNT3 P56703 1/20 0.44
MAPT P10636 1/20 0.43
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
SLC22A11 Q9NSA0 1/20 0.39
APOB P04114 2/20 0.39
MTTP P55157 2/20 0.39

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 0.90 NR1H2 (0.46) NR1H2SFRP1WNT3
SCHEMBL4784546 0.88 NR1H2 (0.46) NR1H2SLC22A12SFRP1WNT3MAPT
SCHEMBL4784882 0.87 NR1H2 (0.53) NR1H2SLC22A12SFRP1WNT3CYP3A4
SCHEMBL4785610 0.86 NR1H2 (0.54) NR1H2SLC22A12SFRP1WNT3CYP3A4
SCHEMBL4783738 0.85 NR1H2 (0.55) NR1H2SLC22A12SFRP1WNT3APOB
SCHEMBL4638025 0.85 SFRP1 (0.66) SFRP1WNT3
SCHEMBL4784211 0.84 NR1H2 (0.48) NR1H2SLC22A12SFRP1WNT3MAPT
SCHEMBL4780533 0.83 NR1H2 (0.43) NR1H2SFRP1WNT3APOBMTTP
SCHEMBL4784216 0.83 NR1H2 (0.49) NR1H2SLC22A12SFRP1WNT3MAPT
SCHEMBL4780535 0.82 NR1H2 (0.44) 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