SCHEMBL7007654

SCHEMBL7007654

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.40
EDNRB P24530 2/20 0.39
EDNRA P25101 2/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
BCL2L1 Q07817 1/20 0.38
NR1H2 P55055 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RORC P51449 1/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 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
SCHEMBL7011111 0.93 EDNRB (0.39) MCL1EDNRBEDNRAMAPTPOLB
SCHEMBL7010894 0.91 MCL1 (0.38) MCL1EDNRBEDNRAMAPTPOLB
SCHEMBL9407273 0.91 MAPT (0.38) MCL1EDNRBEDNRAMAPTPOLB
SCHEMBL7006390 0.90 MCL1 (0.37) MCL1EDNRBEDNRAMAPTPOLB
SCHEMBL7009283 0.90 EDNRB (0.40) MCL1EDNRBEDNRAMAPTPOLB
SCHEMBL7008566 0.89 GAA (0.37) MCL1EDNRBEDNRAMAPTPOLB
SCHEMBL7012773 0.89 EDNRB (0.36) MCL1EDNRBEDNRAMAPTPOLB
SCHEMBL8321015 0.88 EDNRA (0.45) MCL1EDNRBEDNRAMAPTPOLB
SCHEMBL7009200 0.87 EDNRB (0.38) MCL1EDNRBEDNRAMAPTPOLB
SCHEMBL9407236 0.87 EDNRB (0.38) MCL1EDNRBEDNRAMAPTPOLB

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