SCHEMBL7303989

SCHEMBL7303989

COc1ccccc1Oc1c(Cl)nc(-c2ccncc2)nc1N(CC(C)C)S(=O)(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DHPS P49366 11/20 0.47
EDNRA P25101 6/20 0.42
HTT P42858 2/20 0.41
MCL1 Q07820 2/20 0.41
POLB P06746 1/20 0.41
EDNRB P24530 4/20 0.40
THRB P10828 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
SCHEMBL7305832 0.91 ALDH1A1 (0.44) DHPSEDNRA
SCHEMBL7302917 0.90 EDNRA (0.51) DHPSEDNRAEDNRB
SCHEMBL7297143 0.89 DHPS (0.42) DHPSEDNRAMCL1
SCHEMBL7305025 0.88 DHPS (0.42) DHPSEDNRAMCL1
SCHEMBL7293765 0.88 EDNRA (0.44) DHPSEDNRAHTT
SCHEMBL7300166 0.87 DHPS (0.38) DHPSEDNRAEDNRB
SCHEMBL8322432 0.87 LMNA (0.41) DHPSEDNRAHTTMCL1POLB
SCHEMBL7868576 0.86 DHPS (0.51) DHPSEDNRAHTTMCL1POLB
SCHEMBL7302684 0.85 DHPS (0.38) DHPSEDNRA
SCHEMBL7292782 0.85 EDNRA (0.40) DHPSEDNRAHTTMCL1POLB

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