SCHEMBL7827728

SCHEMBL7827728

CCCOc1ccc2c(c1)S(=O)(=O)N(Cc1ccc3c(c1)OCO3)C(OC(=O)OC)=C2OS(=O)(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 6/20 0.42
EDNRA P25101 6/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 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
SCHEMBL7826340 0.94 EDNRB (0.42) EDNRBEDNRAMEN1KMT2ALMNA
SCHEMBL7829083 0.92 POLB (0.42) EDNRBEDNRAKMT2ALMNA
SCHEMBL7337195 0.89 EDNRA (0.42) EDNRBEDNRAMEN1KMT2ALMNA
SCHEMBL7824156 0.87 ALDH1A1 (0.46) EDNRAMEN1KMT2ALMNAMAPT
SCHEMBL7824055 0.86 POLB (0.42) EDNRBEDNRAKMT2ALMNAHTT
SCHEMBL7832196 0.83 HSD11B1 (0.43) LMNAMAPTHTTNPC1RAB9A
SCHEMBL7342754 0.83 EDNRB (0.42) EDNRBEDNRAMEN1KMT2ALMNA
SCHEMBL7817130 0.82 EDNRB (0.45) EDNRBEDNRALMNAMAPTHTT
SCHEMBL7828475 0.81 EDNRA (0.40) EDNRBEDNRAMEN1KMT2ANPC1
SCHEMBL7828479 0.80 PDK2 (0.32) 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