SCHEMBL3650930

SCHEMBL3650930

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

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 17/20 0.80
EDNRB P24530 16/20 0.80
SLC6A2 P23975 1/20 0.71
TSPO P30536 1/20 0.71
DRD3 P35462 1/20 0.71

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
SCHEMBL5101990 0.89 EDNRA (0.80) EDNRAEDNRBSLC6A2TSPODRD3
Aprocitentan SCHEMBL3646065 0.89 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
Aprocitentan SCHEMBL30439551 0.89 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL31266904 0.89 EDNRA (0.80) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL5500351 0.88 EDNRA (0.86) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL9891388 0.87 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL17582648 0.85 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL5494210 0.85 EDNRA (1.00) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL1000701 0.84 EDNRA (0.83) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL8802029 0.83 EDNRB (0.84) EDNRAEDNRB

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-3105220-A1 PROCESS FOR MANUFACTURING PYRIMIDINE SULFAMIDE DERIVATIVES Actelion Pharmaceuticals Ltd (CH) 2016-12-21 EP disclosed
WO-2015121397-A1 PROCESS FOR MANUFACTURING PYRIMIDINE SULFAMIDE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2015-08-20 WO disclosed
EP-2190837-A1 4-PYRIMIDINESULFAMIDE DERIVATIVE Actelion Pharmaceuticals Ltd. (CH) 2010-06-02 EP disclosed
WO-2009024906-A1 4-PYRIMIDINESULFAMIDE DERIVATIVE ACTELION PHARMACEUTICALS LTD (CH) 2009-02-26 WO disclosed