SCHEMBL7328142

SCHEMBL7328142

COc1ccccc1Oc1c(OCCO)nc(-c2cccs2)nc1N(CC(C)C)S(=O)(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 10/20 0.48
DHPS P49366 10/20 0.46
EDNRB P24530 6/20 0.44
ABCC3 O15438 1/20 0.41
ABCC4 O15439 1/20 0.41
NR1I2 O75469 1/20 0.41
ABCB11 O95342 1/20 0.41
NR1H3 Q13133 1/20 0.41
NR1I3 Q14994 1/20 0.41

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
SCHEMBL7302671 0.90 EDNRA (0.43) EDNRADHPSEDNRB
SCHEMBL7321798 0.89 GBA1 (0.40) EDNRADHPSEDNRB
SCHEMBL7331793 0.88 EDNRA (0.49) EDNRADHPSEDNRB
SCHEMBL7329858 0.88 EDNRA (0.62) EDNRADHPSEDNRBABCC3ABCC4
SCHEMBL7327165 0.86 EDNRA (0.53) EDNRADHPSEDNRBABCC3ABCC4
SCHEMBL7300166 0.85 DHPS (0.38) EDNRADHPSEDNRB
SCHEMBL7330749 0.84 EDNRA (0.49) EDNRADHPSEDNRBABCC3ABCC4
SCHEMBL7328712 0.84 EDNRA (0.48) EDNRADHPSEDNRB
SCHEMBL7332438 0.84 EDNRA (0.48) EDNRADHPSEDNRBABCC3ABCC4
SCHEMBL7333240 0.84 EDNRA (0.50) EDNRADHPSEDNRBABCC3ABCC4

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