SCHEMBL8551479

SCHEMBL8551479

COC(=O)Nc1ccc2c(c1)c(-c1ccc(OC)cc1)c(C(=O)O)n2Cc1ccc2nsnc2c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 10/20 0.72
EDNRA P25101 7/20 0.57
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 2/20 0.48
GAA P10253 2/20 0.48
KMT2A Q03164 2/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SERPINE1 P05121 5/20 0.47
APAF1 O14727 1/20 0.44
TDP2 O95551 1/20 0.44
NSD2 O96028 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CASP3 P42574 1/20 0.44
BLM P54132 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL8549435 0.92 EDNRB (0.62) EDNRBEDNRASMN1; SMN2MAPTMEN1
SCHEMBL8546735 0.91 EDNRB (0.63) EDNRBEDNRASMN1; SMN2MAPTMEN1
SCHEMBL8550228 0.90 EDNRB (0.85) EDNRBEDNRASERPINE1
SCHEMBL8550227 0.90 EDNRB (0.58) EDNRBEDNRASMN1; SMN2MAPTMEN1
SCHEMBL8551480 0.89 EDNRB (0.57) EDNRBEDNRASMN1; SMN2MAPTMEN1
SCHEMBL8547616 0.87 EDNRB (0.73) EDNRBEDNRASMN1; SMN2MAPTMEN1
SCHEMBL8550267 0.86 EDNRB (0.77) EDNRBEDNRASMN1; SMN2MAPTMEN1
SCHEMBL8548299 0.86 EDNRB (0.54) EDNRBEDNRASMN1; SMN2MAPTMEN1
SCHEMBL6322213 0.85 EDNRB (0.87) EDNRBEDNRAMAPTMEN1KMT2A
SCHEMBL8550885 0.84 EDNRB (0.74) EDNRBEDNRASMN1; SMN2MAPTMEN1

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