SCHEMBL7827271

SCHEMBL7827271

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

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 10/20 0.47
EDNRB P24530 4/20 0.47
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
PTPN11 Q06124 1/20 0.40
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL7345193 0.87 EDNRA (0.51) EDNRAEDNRBKDM4EALDH1A1HPGD
SCHEMBL7828674 0.87 EDNRA (0.47) EDNRAEDNRBNPC1RAB9A
SCHEMBL6541879 0.81 EDNRA (0.41) EDNRAEDNRBKDM4EALDH1A1HPGD
SCHEMBL7334893 0.80 EDNRA (0.51) EDNRAEDNRBKDM4EALDH1A1HPGD
SCHEMBL6542057 0.78 EDNRA (0.51) EDNRAEDNRBALDH1A1NPC1LMNA
SCHEMBL7829192 0.76 EDNRB (0.51) EDNRAEDNRBKDM4EALDH1A1HPGD
SCHEMBL7831616 0.76 EDNRB (0.49) EDNRAEDNRBALDH1A1MAPT
SCHEMBL6541829 0.75 EDNRA (0.43) EDNRAEDNRBKDM4EALDH1A1HPGD
SCHEMBL6541685 0.75 EDNRA (0.47) EDNRAEDNRBKDM4EALDH1A1HPGD
SCHEMBL6542600 0.75 EDNRA (0.44) 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 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