SCHEMBL8551058

SCHEMBL8551058

COc1cc2c(-c3ccc4nsnc4c3)c(C)n(Cc3ccc4c(c3)OCO4)c2cc1OC

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 16/20 0.72
EDNRA P25101 15/20 0.72
MAPT P10636 2/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
CASP1 P29466 1/20 0.42
KMT2A Q03164 1/20 0.42
PDE5A O76074 1/20 0.42

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
SCHEMBL6313368 0.87 EDNRB (0.94) EDNRBEDNRA
SCHEMBL8547840 0.81 EDNRB (0.68) EDNRBEDNRA
SCHEMBL8552129 0.81 EDNRB (0.63) EDNRBEDNRAMAPTLMNASMN1; SMN2
SCHEMBL8551270 0.80 EDNRB (0.65) EDNRBEDNRALMNAKDM4E
SCHEMBL8550420 0.80 EDNRB (0.61) EDNRBEDNRAMAPTLMNASMN1; SMN2
SCHEMBL8552935 0.79 EDNRB (0.60) EDNRBEDNRAMAPTLMNASMN1; SMN2
SCHEMBL8594148 0.73 EDNRB (0.79) EDNRBEDNRA
SCHEMBL8547246 0.73 EDNRA (0.81) EDNRBEDNRA
SCHEMBL8547997 0.72 EDNRB (0.54) EDNRBEDNRAMAPTTSHRHSD17B10
SCHEMBL8594151 0.72 EDNRB (0.63) EDNRBEDNRA

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-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