SCHEMBL7828399

SCHEMBL7828399

COC(=O)OC1=C(OS(=O)(=O)C(F)(F)F)c2cc(OC)c(OC)cc2S(=O)(=O)N1c1ccc2c(c1)OCO2

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 2/20 0.41
EDNRA P25101 3/20 0.36
EDNRB P24530 1/20 0.36
KMT2A Q03164 2/20 0.35
GLRA3 O75311 5/20 0.35
GLRB P48167 5/20 0.35
ALDH1A1 P00352 4/20 0.34
HCRTR1 O43613 1/20 0.34
TSHR P16473 1/20 0.34
GPR55 Q9Y2T6 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL7817685 0.90 EDNRA (0.37) HCRTR2EDNRAEDNRBKMT2AALDH1A1
SCHEMBL7831316 0.90 EDNRA (0.37) HCRTR2EDNRAEDNRBALDH1A1TSHR
SCHEMBL7822983 0.89 EDNRA (0.41) HCRTR2EDNRAKMT2AGLRA3GLRB
SCHEMBL7336270 0.87 HCRTR2 (0.41) HCRTR2EDNRAEDNRBKMT2AALDH1A1
SCHEMBL7828475 0.84 EDNRA (0.40) EDNRAEDNRBKMT2AMEN1
SCHEMBL7817130 0.80 EDNRB (0.45) HCRTR2EDNRAEDNRBALDH1A1L3MBTL1
SCHEMBL7338551 0.80 ALDH1A1 (0.39) HCRTR2EDNRAKMT2AALDH1A1TSHR
SCHEMBL7341811 0.76 EDNRA (0.38) HCRTR2EDNRAEDNRBKMT2AALDH1A1
SCHEMBL7339606 0.76 EDNRA (0.38) HCRTR2EDNRAEDNRBKMT2AALDH1A1
SCHEMBL7343148 0.76 HSD11B1 (0.44) HCRTR2EDNRAKMT2AALDH1A1TSHR

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