SCHEMBL7339366

SCHEMBL7339366

COc1cc2c(cc1OC)S(=O)(=O)N(c1ccc3c(c1)OCO3)C(C(=O)O)=C2[S+]([O-])c1ccc2c(c1)OCO2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 7/20 0.42
EDNRB P24530 3/20 0.42
HCRTR2 O43614 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.37
ALDH1A1 P00352 3/20 0.37
NPC1 O15118 3/20 0.37
PKM P14618 2/20 0.37
KDM4E B2RXH2 1/20 0.37
KMT2A Q03164 1/20 0.37
RAB9A P51151 2/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 2/20 0.35
TP53 P04637 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
ABCG2 Q9UNQ0 1/20 0.34
SHMT2 P34897 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
SCHEMBL7830902 0.90 ALDH1A1 (0.36) EDNRAEDNRBHCRTR2SMN1; SMN2ALDH1A1
SCHEMBL7336214 0.88 EDNRA (0.42) EDNRAEDNRBHCRTR2SMN1; SMN2ALDH1A1
SCHEMBL7339542 0.88 EDNRA (0.42) EDNRAEDNRBSMN1; SMN2ALDH1A1NPC1
SCHEMBL7071144 0.84 EDNRA (0.50) EDNRAEDNRBHCRTR2KMT2A
SCHEMBL7067173 0.80 EDNRA (0.45) EDNRAEDNRBHCRTR2SMN1; SMN2ALDH1A1
SCHEMBL7342779 0.77 HCRTR2 (0.52) EDNRAEDNRBHCRTR2SMN1; SMN2ALDH1A1
SCHEMBL7336270 0.73 HCRTR2 (0.41) EDNRAEDNRBHCRTR2SMN1; SMN2ALDH1A1
SCHEMBL7829178 0.72 EDNRA (0.44) EDNRAEDNRBALDH1A1PKMKDM4E
SCHEMBL7334893 0.72 EDNRA (0.51) EDNRAEDNRBALDH1A1KDM4E
SCHEMBL7345193 0.72 EDNRA (0.51) EDNRAEDNRBALDH1A1KDM4E

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-A1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-12-10 EP claimed
WO-1996026195-A1 BENZOTHIAZINE DIOXIDES AS ENDOTHELIN ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1996-08-29 WO claimed