SCHEMBL7817685

SCHEMBL7817685

COC(=O)OC1=C(OS(=O)(=O)C(F)(F)F)c2ccc(OC)cc2S(=O)(=O)N1c1ccc2c(c1)OCO2

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 8/20 0.37
EDNRB P24530 1/20 0.37
HCRTR2 O43614 1/20 0.36
ALDH1A1 P00352 3/20 0.35
GFER P55789 1/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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 0.94 EDNRA (0.37) EDNRAEDNRBHCRTR2ALDH1A1GFER
SCHEMBL7822983 0.90 EDNRA (0.41) EDNRAHCRTR2ALDH1A1KMT2ANPC1
SCHEMBL7828399 0.90 HCRTR2 (0.41) EDNRAEDNRBHCRTR2ALDH1A1KMT2A
SCHEMBL7339606 0.87 EDNRA (0.38) EDNRAEDNRBHCRTR2ALDH1A1KMT2A
SCHEMBL7829083 0.85 POLB (0.42) EDNRAEDNRBALDH1A1KMT2ALMNA
SCHEMBL7828475 0.85 EDNRA (0.40) EDNRAEDNRBKMT2ANPC1RAB9A
SCHEMBL7341811 0.81 EDNRA (0.38) EDNRAEDNRBHCRTR2ALDH1A1KMT2A
SCHEMBL7824055 0.79 POLB (0.42) EDNRAEDNRBALDH1A1KMT2ALMNA
SCHEMBL7338776 0.79 EDNRA (0.41) EDNRAEDNRBKMT2ANPC1RAB9A
SCHEMBL7827728 0.78 EDNRB (0.42) EDNRAEDNRBKMT2ANPC1RAB9A

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