SCHEMBL7018075

SCHEMBL7018075

COc1ccc(Cl)c(Oc2c(COCCO)nc(N3CCOCC3)nc2N(CC(C)C)S(=O)(=O)c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 2/20 0.48
KMT2A Q03164 2/20 0.36
MAPT P10636 6/20 0.36
PIK3CA P42336 3/20 0.36
MTOR P42345 2/20 0.36
RORC P51449 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 1/20 0.35
OPRK1 P41145 1/20 0.35
KEAP1 Q14145 2/20 0.35
NFE2L2 Q16236 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
TNF P01375 1/20 0.34
NOD2 Q9HC29 1/20 0.34
NOD1 Q9Y239 1/20 0.34
EDNRB P24530 1/20 0.33
USP2 O75604 1/20 0.33
TSHR P16473 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
SCHEMBL7012433 0.93 EDNRA (0.47) EDNRAKMT2AMAPTPIK3CAMTOR
SCHEMBL7006907 0.92 EDNRA (0.42) EDNRAKMT2AMAPTPIK3CAMTOR
SCHEMBL7013473 0.90 EDNRA (0.44) EDNRAKMT2AMAPTPIK3CAMTOR
SCHEMBL7013707 0.87 EDNRA (0.45) EDNRAKMT2AMAPTPIK3CAMTOR
SCHEMBL7009897 0.85 EDNRA (0.43) EDNRAKMT2AMAPTPIK3CAMTOR
SCHEMBL7010894 0.82 MCL1 (0.38) EDNRAKMT2AMAPTRORCLMNA
SCHEMBL8326008 0.79 EDNRA (0.47) EDNRAKMT2AMAPTPIK3CAMTOR
SCHEMBL7006390 0.79 MCL1 (0.37) EDNRAKMT2AMAPTRORCLMNA
SCHEMBL7849615 0.78 EDNRA (0.51) EDNRAKMT2AMAPTPIK3CAALDH1A1
SCHEMBL7849612 0.78 EDNRA (0.51) EDNRAKMT2AMAPTPIK3CAALDH1A1

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