SCHEMBL7011111

SCHEMBL7011111

COc1ccc(Cl)c(Oc2c(CCl)ncnc2N(CC(C)C)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 2/20 0.39
EDNRA P25101 2/20 0.39
RORC P51449 1/20 0.38
MCL1 Q07820 5/20 0.38
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
NR1H2 P55055 2/20 0.36
BCL2L1 Q07817 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HPGD P15428 1/20 0.36
PGR P06401 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
SCHEMBL7007654 0.93 MCL1 (0.40) EDNRBEDNRARORCMCL1MAPT
SCHEMBL7009283 0.90 EDNRB (0.40) EDNRBEDNRARORCMCL1MAPT
SCHEMBL7010894 0.88 MCL1 (0.38) EDNRBEDNRARORCMCL1MAPT
SCHEMBL9407273 0.87 MAPT (0.38) EDNRBEDNRAMCL1MAPTPOLB
SCHEMBL7009200 0.87 EDNRB (0.38) EDNRBEDNRARORCMCL1MAPT
SCHEMBL7006390 0.87 MCL1 (0.37) EDNRBEDNRARORCMCL1MAPT
SCHEMBL7008566 0.86 GAA (0.37) EDNRBEDNRAMCL1MAPTPOLB
SCHEMBL7012773 0.85 EDNRB (0.36) EDNRBEDNRAMCL1MAPTPOLB
SCHEMBL8326182 0.85 EDNRB (0.45) EDNRBEDNRARORCMCL1MAPT
SCHEMBL8321015 0.85 EDNRA (0.45) EDNRBEDNRAMCL1MAPTPOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0601386-B1 Sulphonamides HOFFMANN LA ROCHE (CH) 2003-02-05 EP claimed
EP-0601386-A1 Sulphonamides F. HOFFMANN-LA ROCHE AG (CH) 1994-06-15 EP claimed
EP-0601386-B1 Sulphonamides HOFFMANN LA ROCHE (CH) 2003-02-05 EP disclosed
EP-0601386-A1 Sulphonamides F. HOFFMANN-LA ROCHE AG (CH) 1994-06-15 EP disclosed