SCHEMBL18929786

SCHEMBL18929786

Bc1ccc(-c2c(NS(=O)(=O)NCCC)ncnc2OCCO)cc1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 20/20 0.63
EDNRB P24530 18/20 0.63
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
SCHEMBL19569100 0.90 EDNRA (0.64) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL12973800 0.89 EDNRA (0.78) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL18929688 0.88 EDNRA (0.76) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL18330569 0.83 EDNRA (0.81) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL22404283 0.81 EDNRA (0.54) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL18929883 0.81 EDNRA (0.52) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL22404009 0.81 EDNRA (0.54) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL8267995 0.80 EDNRA (0.71) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL22404331 0.80 EDNRA (0.56) EDNRAEDNRBSLC6A2TSPODRD3
SCHEMBL22504780 0.79 EDNRA (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017093903-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF MACITENTAN LAURUS LABS PRIVATE LIMITED (IN) 2017-06-08 WO disclosed