SCHEMBL4780306

SCHEMBL4780306

O=C(O)C=Cc1ccc2c(c1)CC(NS(=O)(=O)c1ccc(-c3ccsc3)cc1C(F)(F)F)C2

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 1/20 0.46
NR1H2 P55055 4/20 0.40
IDH2 P48735 7/20 0.40
KDM4E B2RXH2 2/20 0.37
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
APOB P04114 5/20 0.36
MTTP P55157 5/20 0.36
WNT3 P56703 1/20 0.34
SFRP1 Q8N474 1/20 0.34
NR1H3 Q13133 1/20 0.33

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
SCHEMBL4780303 1.00 GRIA2 (0.46) GRIA2NR1H2IDH2KDM4EPOLB
SCHEMBL4783220 0.89 NR1H2 (0.46) NR1H2KDM4EPOLBGAAHTT
SCHEMBL4783212 0.89 NR1H2 (0.46) NR1H2KDM4EPOLBGAAHTT
SCHEMBL4784070 0.86 NR1H2 (0.43) NR1H2KDM4EPOLBGAAHTT
SCHEMBL4784075 0.86 NR1H2 (0.43) NR1H2KDM4EPOLBGAAHTT
SCHEMBL4782252 0.84 NR1H2 (0.46) NR1H2KDM4EPOLBGAAHTT
SCHEMBL4782255 0.84 NR1H2 (0.46) NR1H2KDM4EPOLBGAAHTT
SCHEMBL4780662 0.83 NR1H2 (0.43) GRIA2NR1H2KDM4EPOLBGAA
SCHEMBL4782116 0.83 NR1H2 (0.43) NR1H2KDM4EPOLBGAAHTT
SCHEMBL4780660 0.83 NR1H2 (0.43) GRIA2NR1H2KDM4EPOLBGAA

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