SCHEMBL7598455

SCHEMBL7598455

COc1cccc(Oc2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)nc(OC(=O)Nc3cccnc3)nc2OCCO)c1

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 5/20 0.63
EDNRA P25101 5/20 0.63
ABCC3 O15438 1/20 0.52
ABCC4 O15439 1/20 0.52
NR1I2 O75469 1/20 0.52
ABCB11 O95342 1/20 0.52
DHPS P49366 1/20 0.52
NR1H3 Q13133 1/20 0.52
NR1I3 Q14994 1/20 0.52

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
SCHEMBL7595558 0.92 EDNRA (0.68) EDNRBEDNRAABCC3ABCC4NR1I2
SCHEMBL7586212 0.91 EDNRB (0.54) EDNRBEDNRA
SCHEMBL7949161 0.90 EDNRB (0.68) EDNRBEDNRAABCC3ABCC4NR1I2
SCHEMBL7593718 0.86 EDNRA (0.73) EDNRBEDNRAABCC3ABCC4NR1I2
SCHEMBL7598400 0.86 EDNRA (0.62) EDNRBEDNRAABCC3ABCC4NR1I2
SCHEMBL7596644 0.85 EDNRA (0.57) EDNRBEDNRAABCC3ABCC4NR1I2
SCHEMBL7599581 0.82 EDNRA (0.65) EDNRBEDNRAABCC3ABCC4NR1I2
SCHEMBL7584814 0.81 EDNRA (0.80) EDNRBEDNRAABCC3ABCC4NR1I2
SCHEMBL7598423 0.81 EDNRA (0.78) EDNRBEDNRAABCC3ABCC4NR1I2
SCHEMBL7600949 0.81 EDNRA (0.79) EDNRBEDNRAABCC3ABCC4NR1I2

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-0768304-B1 N-(Pyrimidinyl)-benzenesulfonamides as medicaments HOFFMANN LA ROCHE (CH) 2002-05-22 EP disclosed
EP-0768304-A1 N-(Pyrimidinyl)-benzenesulfonamides as medicaments F. HOFFMANN-LA ROCHE AG (CH) 1997-04-16 EP disclosed