SCHEMBL8543285

SCHEMBL8543285

O=C(O)c1c(-c2ccccc2)c2ccccc2n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 11/20 0.69
EDNRA P25101 11/20 0.69
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL8540470 0.94 EDNRB (0.66) EDNRBEDNRAMEN1KMT2AALDH1A1
SCHEMBL8856691 0.90 EDNRA (0.62) EDNRBEDNRA
SCHEMBL8545866 0.89 EDNRA (0.66) EDNRBEDNRAMEN1KMT2A
SCHEMBL8856802 0.87 EDNRA (0.61) EDNRBEDNRA
SCHEMBL8541723 0.87 EDNRB (0.57) EDNRBEDNRAMEN1KMT2AALDH1A1
SCHEMBL6308654 0.86 EDNRB (0.55) EDNRBEDNRAMEN1KMT2AALDH1A1
SCHEMBL8590639 0.85 EDNRA (0.64) EDNRBEDNRA
SCHEMBL8857065 0.85 EDNRA (0.55) EDNRBEDNRA
SCHEMBL8540948 0.84 EDNRA (0.72) EDNRBEDNRA
SCHEMBL8543571 0.83 EDNRB (0.69) EDNRBEDNRA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0800389-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1998-04-29 EP claimed
US-5684032-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC, ANTIASTHMATIC AGENTS AND RESPIRATORY DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 1997-11-04 US claimed
EP-0800389-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-15 EP claimed
WO-1996018393-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-06-20 WO claimed
US-5684032-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC, ANTIASTHMATIC AGENTS AND RESPIRATORY DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 1997-11-04 US disclosed