SCHEMBL8551480

SCHEMBL8551480

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

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 6/20 0.57
MAPT P10636 8/20 0.45
SMN1; SMN2 Q16637 6/20 0.45
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
GAA P10253 2/20 0.45
EDNRA P25101 3/20 0.45
TSHR P16473 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
ATM Q13315 1/20 0.42
POLB P06746 2/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
HPGD P15428 2/20 0.41
TP53 P04637 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41

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
SCHEMBL8549437 0.93 EDNRB (0.48) EDNRBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8546737 0.91 EDNRB (0.49) EDNRBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8553017 0.91 EDNRB (0.54) EDNRBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8551548 0.91 EDNRB (0.46) EDNRBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8550230 0.90 EDNRB (0.66) EDNRBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8550229 0.90 EDNRB (0.48) EDNRBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8551479 0.89 EDNRB (0.72) EDNRBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8547617 0.88 EDNRB (0.58) EDNRBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8550269 0.87 EDNRB (0.60) EDNRBMAPTSMN1; SMN2NPC1RAB9A
SCHEMBL8548304 0.86 EDNRB (0.44) EDNRBMAPTSMN1; SMN2NPC1RAB9A

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