Sugi Predict

Sugi Predict / Compounds / SCHEMBL14380524

SCHEMBL14380524

SCHEMBL14380524

CCCNS(=O)(=O)Nc1ncnc(OCCOc2ncc(SC)cn2)c1-c1ccc(Br)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EDNRA P25101 20/20 1.00
▸ EDNRB P24530 19/20 1.00
▸ SLC6A2 P23975 1/20 0.84
▸ TSPO P30536 1/20 0.84
▸ DRD3 P35462 1/20 0.84

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
SCHEMBL14380508 0.95 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380767 0.93 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL8351979 0.92 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
Macitentan SCHEMBL1445625 0.92 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
Macitentan SCHEMBL29378853 0.92 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380530 0.91 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL19569175 0.90 EDNRA (0.89) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL19569102 0.89 EDNRA (0.88) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL14380528 0.89 EDNRB (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL23876322 0.89 EDNRA (0.86) 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