SCHEMBL8547872

SCHEMBL8547872

CCOC(=O)Oc1c(-c2ccc(OC)c(OC)c2)c2cc(N)ccc2n1Cc1ccc2nsnc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 7/20 0.48
EDNRA P25101 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.37
LMNA P02545 2/20 0.37
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35
TUBB6 Q9BUF5 1/20 0.35
TUBB2B Q9BVA1 1/20 0.35
TUBB1 Q9H4B7 1/20 0.35
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL8546234 0.91 EDNRB (0.57) EDNRBEDNRASMN1; SMN2KDM4EALDH1A1
SCHEMBL8546349 0.90 EDNRB (0.52) EDNRBEDNRAKDM4EGAAQPCT
SCHEMBL8549337 0.90 EDNRB (0.47) EDNRBEDNRASMN1; SMN2KDM4EALDH1A1
SCHEMBL8548047 0.89 EDNRB (0.43) EDNRBEDNRASMN1; SMN2KDM4EHPGD
SCHEMBL8547512 0.88 EDNRB (0.46) EDNRBEDNRASMN1; SMN2LMNAKDM4E
SCHEMBL8552520 0.88 EDNRB (0.46) EDNRBEDNRAPLA2G2A
SCHEMBL8551956 0.88 EDNRB (0.64) EDNRBEDNRASMN1; SMN2KDM4EHSD17B10
SCHEMBL8547254 0.88 EDNRB (0.46) EDNRBEDNRASMN1; SMN2LMNAKDM4E
SCHEMBL8547971 0.88 EDNRB (0.48) EDNRBEDNRALMNAKDM4EALDH1A1
SCHEMBL8548805 0.87 EDNRB (0.45) EDNRBEDNRASMN1; SMN2KDM4EALDH1A1

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