SCHEMBL4780458

SCHEMBL4780458

COc1cccc(F)c1-c1ccc(S(=O)(=O)NC2Cc3ccc(C=CC(=O)O)cc3C2)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 6/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
HTT P42858 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NR1H2 P55055 8/20 0.42
APOB P04114 3/20 0.42
MTTP P55157 3/20 0.42
NR1H3 Q13133 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL4780456 1.00 POLB (0.44) POLBL3MBTL1KDM4EGAAHTT
SCHEMBL4782465 0.90 POLB (0.46) POLBL3MBTL1KDM4EGAAHTT
SCHEMBL4782468 0.90 POLB (0.46) POLBL3MBTL1KDM4EGAAHTT
SCHEMBL4780660 0.86 NR1H2 (0.43) POLBL3MBTL1KDM4EGAAHTT
SCHEMBL4780662 0.86 NR1H2 (0.43) POLBL3MBTL1KDM4EGAAHTT
SCHEMBL4783220 0.84 NR1H2 (0.46) POLBL3MBTL1KDM4EGAAHTT
SCHEMBL4783212 0.84 NR1H2 (0.46) POLBL3MBTL1KDM4EGAAHTT
SCHEMBL4783983 0.83 APOB (0.44) NR1H2APOBMTTPNR1H3
SCHEMBL4782255 0.82 NR1H2 (0.46) POLBL3MBTL1KDM4EGAAHTT
SCHEMBL4782252 0.82 NR1H2 (0.46) POLBL3MBTL1KDM4EGAAHTT

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