SCHEMBL7013541

SCHEMBL7013541

COc1ccc(Cl)c(Oc2c(COCC3COC(C)(C)O3)ncnc2N(CC(C)C)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
MCL1 Q07820 4/20 0.33
MAPT P10636 3/20 0.32
EDNRB P24530 2/20 0.32
EDNRA P25101 2/20 0.32
NR1H2 P55055 1/20 0.31
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
GLA P06280 1/20 0.31
BCL2L1 Q07817 2/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
F10 P00742 1/20 0.30

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
SCHEMBL7010894 0.82 MCL1 (0.38) LMNAMCL1MAPTEDNRBEDNRA
SCHEMBL7011111 0.81 EDNRB (0.39) MCL1MAPTEDNRBEDNRANR1H2
SCHEMBL7007654 0.81 MCL1 (0.40) MCL1MAPTEDNRBEDNRANR1H2
SCHEMBL7006390 0.81 MCL1 (0.37) LMNAMCL1MAPTEDNRBEDNRA
SCHEMBL7008566 0.81 GAA (0.37) LMNAMCL1MAPTEDNRBEDNRA
SCHEMBL7009283 0.78 EDNRB (0.40) LMNAMCL1MAPTEDNRBEDNRA
SCHEMBL9407273 0.76 MAPT (0.38) LMNAMCL1MAPTEDNRBEDNRA
SCHEMBL7009200 0.76 EDNRB (0.38) MCL1MAPTEDNRBEDNRANR1H2
SCHEMBL7302716 0.76 MAPK14 (0.35) LMNANR1H2JAK2JAK1TYK2
SCHEMBL7013471 0.75 EDNRA (0.49) EDNRBEDNRA

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