SCHEMBL8549528

SCHEMBL8549528

CCOC(=O)Oc1c(-c2ccc(CO)cc2)c2cc([N+](=O)[O-])ccc2n1Cc1ccc2nsnc2c1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 3/20 0.45
EDNRA P25101 2/20 0.40
AR P10275 1/20 0.38
ELANE P08246 1/20 0.37
TXNRD1 Q16881 1/20 0.37
TXNRD3 Q86VQ6 1/20 0.37
TXNRD2 Q9NNW7 1/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
F2R P25116 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
F2RL3 Q96RI0 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL8548809 0.92 EDNRB (0.54) EDNRBEDNRAELANE
SCHEMBL8552742 0.92 EDNRB (0.43) EDNRBEDNRAARELANETXNRD1
SCHEMBL8552520 0.90 EDNRB (0.46) EDNRBEDNRAELANE
SCHEMBL8552494 0.88 EDNRB (0.49) EDNRBEDNRAELANE
SCHEMBL8549337 0.87 EDNRB (0.47) EDNRBEDNRAELANEMAPTSMN1; SMN2
SCHEMBL8546118 0.85 EDNRB (0.42) EDNRBEDNRAELANEMEN1KMT2A
SCHEMBL8547644 0.85 EDNRB (0.45) EDNRBEDNRAELANEMEN1KMT2A
SCHEMBL8547813 0.84 EDNRB (0.64) EDNRBEDNRA
SCHEMBL8548911 0.84 EDNRB (0.46) EDNRBEDNRAELANEMAPTLMNA
SCHEMBL8550954 0.84 EDNRB (0.46) EDNRBEDNRAMEN1KMT2AMAPT

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