SCHEMBL8549019

SCHEMBL8549019

CCOC(=O)Oc1c(-c2ccc(OC)c(F)c2)c2cc(OC)c(OC(C)C)cc2n1Cc1ccc2nsnc2c1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 7/20 0.49
EDNRA P25101 4/20 0.49
GAA P10253 2/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
THRB P10828 1/20 0.34
P2RX3 P56373 6/20 0.34
GRK2 P25098 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 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
SCHEMBL8548507 0.95 EDNRB (0.54) EDNRBEDNRAGAASMN1; SMN2GRK2
SCHEMBL8551949 0.91 EDNRB (0.54) EDNRBEDNRAGAAMAPK1MEN1
SCHEMBL8552763 0.90 EDNRB (0.47) EDNRBEDNRAGAAMAPK1MEN1
SCHEMBL8549390 0.89 EDNRB (0.48) EDNRBEDNRAGRK2
SCHEMBL8551760 0.88 EDNRB (0.49) EDNRBEDNRA
SCHEMBL8547128 0.87 EDNRB (0.49) EDNRBEDNRALMNA
SCHEMBL8552129 0.87 EDNRB (0.63) EDNRBEDNRAMAPTSMN1; SMN2LMNA
SCHEMBL8550537 0.86 EDNRB (0.53) EDNRBEDNRAKMT2AP2RX3
SCHEMBL8549608 0.86 EDNRB (0.54) EDNRBEDNRAGAAMAPK1MEN1
SCHEMBL8549381 0.85 EDNRB (0.43) EDNRBEDNRAGAAMAPK1MEN1

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