SCHEMBL7330283

SCHEMBL7330283

COc1cc(F)ccc1Oc1c(OCCO)nc(C)nc1N(CC(C)C)S(=O)(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DHPS P49366 11/20 0.46
EDNRA P25101 8/20 0.45
EDNRB P24530 5/20 0.45
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL7325135 0.89 EDNRA (0.44) DHPSEDNRAEDNRBLMNAHTT
SCHEMBL7296639 0.86 LMNA (0.39) DHPSLMNAHTT
SCHEMBL8322002 0.84 EDNRA (0.46) DHPSEDNRAEDNRBLMNAHTT
SCHEMBL7322839 0.83 EDNRA (0.42) DHPSEDNRAEDNRB
SCHEMBL7330749 0.83 EDNRA (0.49) DHPSEDNRAEDNRB
SCHEMBL7333240 0.83 EDNRA (0.50) DHPSEDNRAEDNRB
SCHEMBL7329858 0.82 EDNRA (0.62) DHPSEDNRAEDNRB
SCHEMBL7327055 0.81 EDNRA (0.48) DHPSEDNRAEDNRB
SCHEMBL7327165 0.80 EDNRA (0.53) DHPSEDNRAEDNRB
SCHEMBL8326014 0.79 EDNRA (0.39) DHPSEDNRAEDNRBLMNAHTT

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 3 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