SCHEMBL4782875

SCHEMBL4782875

O=C(O)C=Cc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(Br)cc1C(F)(F)F)C2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.42
KDM4E B2RXH2 2/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
SFRP1 Q8N474 10/20 0.37
WNT3 P56703 2/20 0.37
HDAC1 Q13547 2/20 0.36
APOB P04114 2/20 0.35
MTTP P55157 2/20 0.35
HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL4782285 0.87 NR1H2 (0.51) NR1H2KDM4EPOLBGAAHTT
SCHEMBL4782289 0.87 NR1H2 (0.51) NR1H2KDM4EPOLBGAAHTT
SCHEMBL4783212 0.87 NR1H2 (0.46) NR1H2KDM4EPOLBGAAHTT
SCHEMBL4783220 0.87 NR1H2 (0.46) NR1H2KDM4EPOLBGAAHTT
SCHEMBL4781555 0.86 NR1H2 (0.40) NR1H2SFRP1WNT3APOBMTTP
SCHEMBL4785515 0.86 NR1H2 (0.41) NR1H2SFRP1WNT3APOBMTTP
SCHEMBL4782252 0.84 NR1H2 (0.46) NR1H2KDM4EPOLBGAAHTT
SCHEMBL4782255 0.84 NR1H2 (0.46) NR1H2KDM4EPOLBGAAHTT
SCHEMBL4794680 0.84 NR1H2 (0.46) NR1H2HTTSFRP1WNT3HDAC8
SCHEMBL4784075 0.83 NR1H2 (0.43) NR1H2KDM4EPOLBGAAHTT

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 1 patent. 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 disclosed