SCHEMBL4781653

SCHEMBL4781653

CC(C)c1ccccc1S(=O)(=O)NC1Cc2ccc(/C=C/C(=O)O)cc2C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
POLB P06746 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
HTT P42858 1/20 0.43
NR1H2 P55055 8/20 0.39
ESR1 P03372 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HDAC1 Q13547 1/20 0.38
RAB9A P51151 1/20 0.38
APOB P04114 1/20 0.37
MTTP P55157 1/20 0.37
MAPK1 P28482 1/20 0.37
NR1H3 Q13133 1/20 0.37

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
SCHEMBL4781658 1.00 KDM4E (0.43) KDM4EPOLBTDP1L3MBTL1GAA
SCHEMBL4782858 0.84 KDM4E (0.44) KDM4EPOLBTDP1L3MBTL1GAA
SCHEMBL4782869 0.84 KDM4E (0.44) KDM4EPOLBTDP1L3MBTL1GAA
SCHEMBL4784130 0.83 NR1H2 (0.43) KDM4EPOLBTDP1L3MBTL1GAA
SCHEMBL4784118 0.83 NR1H2 (0.43) KDM4EPOLBTDP1L3MBTL1GAA
SCHEMBL4782285 0.82 NR1H2 (0.51) KDM4EPOLBTDP1L3MBTL1GAA
SCHEMBL4782289 0.82 NR1H2 (0.51) KDM4EPOLBTDP1L3MBTL1GAA
SCHEMBL4784495 0.80 CA1 (0.44) L3MBTL1NR1H2MEN1KMT2A
SCHEMBL4782205 0.80 CA1 (0.50) KDM4EL3MBTL1MEN1KMT2A
SCHEMBL4797405 0.78 MAPT (0.43) NR1H2MEN1KMT2A

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