SCHEMBL30171191

SCHEMBL30171191

COCCOCN(c1noc(C)c1C)S(=O)(=O)c1cccc(C)c1Br

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
BRD4 O60885 1/20 0.31
BRD2 P25440 1/20 0.31
BRD3 Q15059 1/20 0.31

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
SCHEMBL29001508 1.00 EDNRB (0.31) EDNRBEDNRABRD4BRD2BRD3
SCHEMBL6640127 0.88 EDNRA (0.37) EDNRBEDNRABRD4
SCHEMBL30171015 0.88 EDNRA (0.37) EDNRBEDNRABRD4
SCHEMBL535004 0.82 GAA (0.33)
SCHEMBL30296075 0.81 EDNRA (0.37) EDNRBEDNRA
SCHEMBL27419866 0.81 EDNRA (0.37) EDNRBEDNRA
SCHEMBL4773572 0.79 EDNRB (0.35) EDNRBEDNRA
SCHEMBL4773487 0.78 EDNRB (0.35) EDNRBEDNRA
SCHEMBL13531528 0.78
SCHEMBL29799735 0.77 EDNRA (0.40) EDNRBEDNRABRD4

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
CN-115745983-A Angiotensin and endothelin receptor antagonist and application thereof 深圳信立泰药业股份有限公司 2023-03-07 CN disclosed