SCHEMBL7828475

SCHEMBL7828475

CCCOc1ccc2c(c1)C(OS(=O)(=O)C(F)(F)F)=C(OC(=O)OC)N(c1ccc3c(c1)OCO3)S2(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 3/20 0.40
EDNRB P24530 2/20 0.40
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7831316 0.91 EDNRA (0.37) EDNRAEDNRB
SCHEMBL7337701 0.88 EDNRA (0.41) EDNRAEDNRBNPC1RAB9AGAA
SCHEMBL7826340 0.87 EDNRB (0.42) EDNRAEDNRBNPC1RAB9AMEN1
SCHEMBL7822983 0.86 EDNRA (0.41) EDNRANPC1RAB9AGAAMEN1
SCHEMBL7817685 0.85 EDNRA (0.37) EDNRAEDNRBNPC1RAB9AKMT2A
SCHEMBL7828399 0.84 HCRTR2 (0.41) EDNRAEDNRBMEN1KMT2A
SCHEMBL7338776 0.82 EDNRA (0.41) EDNRAEDNRBNPC1RAB9AGAA
SCHEMBL7827728 0.81 EDNRB (0.42) EDNRAEDNRBNPC1RAB9AGAA
SCHEMBL7828479 0.80 PDK2 (0.32) EDNRA
SCHEMBL7341811 0.79 EDNRA (0.38) EDNRAEDNRBNPC1RAB9AKMT2A

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