SCHEMBL6660199

SCHEMBL6660199

CCOc1ccc2c(c1)c(-c1ccc(OC)cc1)c(OC(=O)O)n2Cc1ccc2nsnc2c1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 13/20 0.69
EDNRA P25101 6/20 0.53
KMT2A Q03164 4/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 3/20 0.39
KDM4E B2RXH2 2/20 0.39
HSD17B10 Q99714 2/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TP53 P04637 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
SCHEMBL8550230 0.94 EDNRB (0.66) EDNRBEDNRAKMT2AMAPTSMN1; SMN2
SCHEMBL6661772 0.93 EDNRB (0.79) EDNRBEDNRA
SCHEMBL8547652 0.92 EDNRB (0.64) EDNRBEDNRAKMT2AMAPTSMN1; SMN2
SCHEMBL8552338 0.91 EDNRB (0.58) EDNRBEDNRAKMT2AMAPTSMN1; SMN2
SCHEMBL8551432 0.91 EDNRB (0.64) EDNRBEDNRA
SCHEMBL8546954 0.89 EDNRB (0.57) EDNRBEDNRAKMT2AMAPTSMN1; SMN2
SCHEMBL8550269 0.89 EDNRB (0.60) EDNRBEDNRAKMT2AMAPTSMN1; SMN2
SCHEMBL6322213 0.88 EDNRB (0.87) EDNRBEDNRAKMT2AMAPTMEN1
SCHEMBL8550887 0.87 EDNRB (0.58) EDNRBEDNRAKMT2AMAPTSMN1; SMN2
SCHEMBL8548530 0.87 EDNRB (0.57) EDNRBEDNRAKMT2AMAPTSMN1; SMN2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1441721-A2 USE OF ENDOTHELIN RECEPTOR ANTAGONISTS IN THE TREATMENT OF TUMOUR DISEASES MERCK PATENT GmbH (DE) 2004-08-04 EP claimed
WO-2003039539-A2 USE OF ENDOTHELIN RECEPTOR ANTAGONISTS IN THE TREATMENT OF TUMOUR DISEASES MERCK PATENT GMBH (DE) 2003-05-15 WO claimed
EP-0863898-A1 ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 1998-09-16 EP claimed
WO-1997019077-A1 ENDOTHELIN RECEPTOR ANTAGONISTS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1997-05-29 WO claimed
EP-1441721-A2 USE OF ENDOTHELIN RECEPTOR ANTAGONISTS IN THE TREATMENT OF TUMOUR DISEASES MERCK PATENT GmbH (DE) 2004-08-04 EP disclosed
WO-2003039539-A2 USE OF ENDOTHELIN RECEPTOR ANTAGONISTS IN THE TREATMENT OF TUMOUR DISEASES MERCK PATENT GMBH (DE) 2003-05-15 WO disclosed
EP-0863898-A1 ENDOTHELIN RECEPTOR ANTAGONISTS MERCK PATENT GmbH (DE) 1998-09-16 EP disclosed
WO-1997019077-A1 ENDOTHELIN RECEPTOR ANTAGONISTS MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1997-05-29 WO disclosed