SCHEMBL7327693

SCHEMBL7327693

CCc1nc(OCC[S+](C)[O-])c(Oc2cc(OC)ccc2Cl)c(N(CC(C)C)S(=O)(=O)c2ccccc2)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 6/20 0.37
EDNRB P24530 3/20 0.37
RORC P51449 1/20 0.34
MCL1 Q07820 5/20 0.34
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
BCL2L1 Q07817 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
NR1H2 P55055 1/20 0.32

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
SCHEMBL7331086 0.89 EDNRA (0.36) EDNRAEDNRBRORCMCL1POLB
SCHEMBL7332509 0.85 RORC (0.38) RORCMCL1BCL2L1POLBMEN1
SCHEMBL8327618 0.84 EDNRA (0.42) EDNRAEDNRBMCL1BCL2L1POLB
SCHEMBL7322839 0.81 EDNRA (0.42) EDNRAEDNRBMCL1POLBMEN1
SCHEMBL8325946 0.78 MAPT (0.38) RORCMCL1BCL2L1POLBMEN1
SCHEMBL8321015 0.78 EDNRA (0.45) EDNRAEDNRBMCL1KEAP1NFE2L2
SCHEMBL8326182 0.78 EDNRB (0.45) EDNRAEDNRBRORCMCL1BCL2L1
SCHEMBL7293953 0.78 MCL1 (0.40) RORCMCL1BCL2L1POLBMEN1
SCHEMBL7333240 0.78 EDNRA (0.50) EDNRAEDNRB
SCHEMBL7011111 0.76 EDNRB (0.39) EDNRAEDNRBRORCMCL1BCL2L1

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-0526708-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 EP claimed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP claimed
EP-0526708-B1 Sulfonamide, preparation and use thereof as medicine and intermediate HOFFMANN LA ROCHE (CH) 2000-10-18 EP disclosed
EP-0526708-A1 Sulfonamide, preparation and use thereof as medicine and intermediate F. HOFFMANN-LA ROCHE AG (CH) 1993-02-10 EP disclosed