SCHEMBL7337195

SCHEMBL7337195

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

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 7/20 0.42
EDNRB P24530 6/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LMNA P02545 3/20 0.38
MAPT P10636 2/20 0.38
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.37
CHRM5 P08912 1/20 0.36
HSD11B1 P28845 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
SCHEMBL7342754 0.94 EDNRB (0.42) EDNRAEDNRBMEN1KMT2ALMNA
SCHEMBL7340189 0.92 EDNRB (0.40) EDNRAEDNRBKMT2AALDH1A1POLB
SCHEMBL7827728 0.89 EDNRB (0.42) EDNRAEDNRBMEN1KMT2ALMNA
SCHEMBL7342900 0.88 ALDH1A1 (0.40) MEN1KMT2ALMNAMAPTHTT
SCHEMBL7334097 0.87 HSD11B1 (0.49) EDNRAKMT2ALMNAMAPTHTT
SCHEMBL7338776 0.87 EDNRA (0.41) EDNRAEDNRBMEN1KMT2ALMNA
SCHEMBL7333608 0.86 CHRM5 (0.42) EDNRAEDNRBKMT2ALMNAHTT
SCHEMBL7337167 0.85 HCRTR2 (0.41) EDNRAEDNRBLMNAHTTSMN1; SMN2
SCHEMBL7826340 0.83 EDNRB (0.42) EDNRAEDNRBMEN1KMT2ALMNA
SCHEMBL7341323 0.82 HSD11B1 (0.49) MAPTHTTALDH1A1TP53NPC1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996026195-A1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-08-29 WO claimed
EP-0811001-B1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER LAMBERT CO (US) 2001-10-31 EP disclosed
WO-1996026195-A1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-08-29 WO disclosed