SCHEMBL4062000

SCHEMBL4062000

CN(CCCN1c2c(F)cccc2N(c2ccccc2)S1(O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SLC6A4 P31645 3/20 0.36
SLC6A2 P23975 7/20 0.34
SLC6A3 Q01959 4/20 0.34
KCNH2 Q12809 1/20 0.34
AMPD2 Q01433 2/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL4055078 0.92 SLC6A2 (0.35) KDM4EL3MBTL1SLC6A4SLC6A2SLC6A3
SCHEMBL4061452 0.92 SLC6A2 (0.35) KDM4EL3MBTL1SLC6A4SLC6A2KMT2A
SCHEMBL4061994 0.89 SLC6A2 (0.43) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4055075 0.85 SLC6A2 (0.43) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4058532 0.84 SLC6A2 (0.42) KDM4EL3MBTL1SLC6A4SLC6A2SLC6A3
SCHEMBL4061456 0.81 SLC6A2 (0.41) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4053690 0.80 SLC6A2 (0.37) KDM4EL3MBTL1SLC6A4SLC6A2SLC6A3
SCHEMBL4056101 0.80 SLC6A2 (0.42) KDM4EL3MBTL1SLC6A4SLC6A2SLC6A3
SCHEMBL4055129 0.80 SLC6A2 (0.52) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL4062006 0.79 SLC6A2 (0.41) SLC6A4SLC6A2SLC6A3KCNH2

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
EP-2061776-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE Wyeth a Corporation of the State of Delaware (US) 2009-05-27 EP disclosed
WO-2008073459-A1 ARYL SULFAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-06-19 WO disclosed