Sugi Predict

Sugi Predict / Compounds / SCHEMBL14380775

SCHEMBL14380775

SCHEMBL14380775

CCCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(SC)cn2)c1-c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 19/20 1.00
▸ EDNRB P24530 18/20 1.00
▸ SLC6A2 P23975 1/20 0.63
▸ TSPO P30536 1/20 0.63
▸ DRD3 P35462 1/20 0.63

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
SCHEMBL14380530 0.95 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380508 0.91 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380770 0.91 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380513 0.89 EDNRA (0.84) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380518 0.87 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380524 0.86 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380514 0.85 EDNRA (0.79) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380492 0.85 EDNRA (0.78) EDNRAEDNRB
SCHEMBL14380496 0.84 EDNRA (0.77) EDNRAEDNRB
SCHEMBL14380529 0.84 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3

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
US-7285549-B2 Sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-23 — — US disclosed
US-7285549-B2 Sulfamides and their use as endothelin receptor antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2007-10-23 — — US disclosed