SCHEMBL7345193

SCHEMBL7345193

COc1ccc2c(c1)S(=O)(=O)N(c1ccc3c(c1)OCO3)C(C(=O)O)=C2c1ccc2c(c1)OCO2

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 11/20 0.51
EDNRB P24530 3/20 0.51
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
PTPN11 Q06124 1/20 0.43

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
SCHEMBL7334893 0.93 EDNRA (0.51) EDNRAEDNRBKDM4EALDH1A1HPGD
SCHEMBL7071144 0.88 EDNRA (0.50) EDNRAEDNRB
SCHEMBL7827271 0.87 EDNRA (0.47) EDNRAEDNRBKDM4EALDH1A1HPGD
SCHEMBL7336545 0.86 EDNRA (0.51) EDNRAEDNRB
SCHEMBL7829178 0.86 EDNRA (0.44) EDNRAEDNRBKDM4EALDH1A1HPGD
SCHEMBL7069874 0.84 EDNRA (0.56) EDNRAEDNRBALDH1A1
SCHEMBL7336214 0.83 EDNRA (0.42) EDNRAEDNRBKDM4EALDH1A1HPGD
SCHEMBL7065399 0.83 EDNRB (0.55) EDNRAEDNRBKDM4EALDH1A1HPGD
SCHEMBL6541874 0.81 EDNRA (0.53) EDNRAEDNRBKDM4EALDH1A1HPGD
SCHEMBL7339542 0.77 EDNRA (0.42) EDNRAEDNRBKDM4EALDH1A1HPGD

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 2 patents. 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
WO-1996026195-A1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-08-29 WO claimed