Sugi Predict

Sugi Predict / Compounds / SCHEMBL7872328

SCHEMBL7872328

SCHEMBL7872328

CCCCc1ccccc1S(=O)(=O)Nc1nc(-c2ncccn2)nc(NS(=O)(=O)CCOC(F)(F)F)c1Oc1ccccc1OC

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 19/20 0.54
▸ EDNRB P24530 14/20 0.54
▸ ABCC3 O15438 1/20 0.48
▸ ABCC4 O15439 1/20 0.48
▸ NR1I2 O75469 1/20 0.48
▸ ABCB11 O95342 1/20 0.48
▸ DHPS P49366 1/20 0.48
▸ NR1H3 Q13133 1/20 0.48
▸ NR1I3 Q14994 1/20 0.48

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
SCHEMBL622949 0.83 EDNRA (0.51) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL3417934 0.83 EDNRA (0.54) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL20450343 0.83 EDNRA (0.60) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL1723227 0.82 EDNRA (0.73) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7210039 0.72 EDNRA (0.62) EDNRAEDNRB
SCHEMBL7207974 0.72 EDNRA (0.64) EDNRAEDNRB
SCHEMBL7209129 0.71 EDNRA (0.55) EDNRAEDNRB
SCHEMBL7935994 0.71 EDNRA (0.57) EDNRAEDNRBABCC3ABCC4NR1I2
SCHEMBL7210058 0.71 EDNRA (0.56) EDNRAEDNRB
SCHEMBL1938981 0.70 EDNRA (0.78) EDNRAEDNRBABCC3ABCC4NR1I2

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-1137642-A1 BIS-SULFONAMIDES Actelion Pharmaceuticals Ltd. (CH) 2001-10-04 — — EP disclosed
WO-2001017976-A1 BIS-SULFONAMIDES ACTELION PHARMACEUTICALS LTD (CH) 2001-03-15 — — WO disclosed