SCHEMBL8029697

SCHEMBL8029697

CCOC(=O)c1c(-c2ccc(OC)cc2)c2cccnc2n1Cc1ccc2c(c1)OCO2

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 14/20 0.53
EDNRA P25101 13/20 0.53
PTGDR2 Q9Y5Y4 1/20 0.47
LMNA P02545 2/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ESR1 P03372 1/20 0.44

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
SCHEMBL8042973 0.90 EDNRB (0.66) EDNRBEDNRA
SCHEMBL8900951 0.86 EDNRB (0.64) EDNRBEDNRALMNAMAPTHPGD
SCHEMBL8901534 0.81 EDNRB (0.69) EDNRBEDNRA
SCHEMBL8902335 0.76 EDNRB (0.80) EDNRBEDNRA
SCHEMBL8039429 0.74 EDNRA (0.55) EDNRBEDNRA
SCHEMBL8041521 0.73 EDNRB (0.51) EDNRBEDNRA
SCHEMBL4712914 0.72 MAPK8 (0.70) EDNRBEDNRALMNASMN1; SMN2
SCHEMBL8900846 0.70 EDNRA (0.81) EDNRBEDNRA
SCHEMBL3956234 0.70 MAPT (0.49) PTGDR2LMNAMAPTHPGD
SCHEMBL6322272 0.70 EDNRB (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6075037-A Endothelin receptor antagonists SMITHKLINE BEECHAM CORPORATION (US) 2000-06-13 US disclosed