SCHEMBL7824686

SCHEMBL7824686

COc1cc(Cl)cc(OC)c1SC1=C(OC(=O)O)N(Cc2ccc3c(c2)OCO3)S(=O)(=O)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
EDNRB P24530 10/20 0.42
EDNRA P25101 10/20 0.42
HCRTR2 O43614 1/20 0.42
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MCHR1 Q99705 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL7071208 0.89 ALDH1A1 (0.47) ALDH1A1HTTL3MBTL1EDNRBEDNRA
SCHEMBL7828437 0.88 ALDH1A1 (0.47) ALDH1A1HTTL3MBTL1EDNRBEDNRA
SCHEMBL7824960 0.87 EDNRB (0.52) ALDH1A1HTTL3MBTL1EDNRBEDNRA
SCHEMBL7815810 0.87 EDNRB (0.52) ALDH1A1HTTL3MBTL1EDNRBEDNRA
SCHEMBL7829746 0.84 EDNRB (0.54) ALDH1A1HTTL3MBTL1EDNRBEDNRA
SCHEMBL7823695 0.83 EDNRB (0.43) ALDH1A1HTTL3MBTL1EDNRBEDNRA
SCHEMBL7828049 0.83 EDNRB (0.48) ALDH1A1HTTL3MBTL1EDNRBEDNRA
SCHEMBL7817828 0.82 ALDH1A1 (0.47) ALDH1A1HTTL3MBTL1EDNRBEDNRA
SCHEMBL7828200 0.82 ALDH1A1 (0.47) ALDH1A1HTTL3MBTL1EDNRBEDNRA
SCHEMBL7828476 0.82 EDNRB (0.43) ALDH1A1HTTL3MBTL1EDNRBEDNRA

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