SCHEMBL7327772

SCHEMBL7327772

COCCc1nc(OCCO)c(Oc2cccc(OC)c2)c(N(CC(C)C)S(=O)(=O)c2ccccc2)n1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.42
EDNRB P24530 2/20 0.42
NR1H2 P55055 2/20 0.39
DHPS P49366 1/20 0.38
MCL1 Q07820 4/20 0.36
BCL2L1 Q07817 2/20 0.36
PGR P06401 2/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NR1I2 O75469 1/20 0.34

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
SCHEMBL7326214 0.86 NR1H2 (0.40) NR1H2MCL1BCL2L1PGRKEAP1
SCHEMBL7321798 0.83 GBA1 (0.40) EDNRAEDNRBNR1H2DHPSMCL1
SCHEMBL8327618 0.82 EDNRA (0.42) EDNRAEDNRBNR1H2DHPSMCL1
SCHEMBL7598526 0.81 KMT2A (0.40) EDNRAEDNRBNR1H2KEAP1NFE2L2
SCHEMBL7333240 0.79 EDNRA (0.50) EDNRAEDNRBDHPSNR1I2
SCHEMBL7322839 0.77 EDNRA (0.42) EDNRAEDNRBNR1H2DHPSMCL1
SCHEMBL8326451 0.76 EDNRA (0.41) EDNRAEDNRBMCL1BCL2L1MEN1
SCHEMBL7330749 0.75 EDNRA (0.49) EDNRAEDNRBDHPSNR1I2
SCHEMBL7329858 0.74 EDNRA (0.62) EDNRAEDNRBDHPSNR1I2
SCHEMBL8321015 0.74 EDNRA (0.45) EDNRAEDNRBNR1H2MCL1BCL2L1

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