SCHEMBL7828479

SCHEMBL7828479

CCCOc1ccc2c(c1)S(=O)(=O)N(C1=COCO1)C(OC(=O)OC)=C2OS(=O)(=O)C(F)(F)F

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.32
HSD11B1 P28845 1/20 0.31
KAT6A Q92794 1/20 0.31
EDNRA P25101 1/20 0.30

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
SCHEMBL7827728 0.80 EDNRB (0.42) EDNRA
SCHEMBL7828475 0.80 EDNRA (0.40) EDNRA
SCHEMBL7817685 0.76 EDNRA (0.37) EDNRA
SCHEMBL7338776 0.75 EDNRA (0.41) EDNRA
SCHEMBL7826340 0.74 EDNRB (0.42) EDNRA
SCHEMBL7829083 0.71 POLB (0.42) EDNRA
SCHEMBL7337195 0.71 EDNRA (0.42) HSD11B1EDNRA
SCHEMBL7822983 0.70 EDNRA (0.41) HSD11B1EDNRA
SCHEMBL7831316 0.70 EDNRA (0.37) EDNRA
SCHEMBL7337701 0.69 EDNRA (0.41) EDNRA

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
EP-0811001-B1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER LAMBERT CO (US) 2001-10-31 EP claimed