SCHEMBL9052058

SCHEMBL9052058

COc1cc(OC)nc(OC(C(=O)N(N)c2ccccc2Cl)C(O)(c2ccccc2)C(F)(F)F)n1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 19/20 0.53
EDNRA P25101 19/20 0.53

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
SCHEMBL9051708 0.80 EDNRB (0.75) EDNRBEDNRA
SCHEMBL9051649 0.76 EDNRB (0.61) EDNRBEDNRA
SCHEMBL9383783 0.69 NPSR1 (0.36)
SCHEMBL8703985 0.69 EDNRB (0.62) EDNRBEDNRA
SCHEMBL9369015 0.68 EDNRB (0.76) EDNRBEDNRA
SCHEMBL6776490 0.68 EDNRB (0.76) EDNRBEDNRA
SCHEMBL6708961 0.67 EDNRB (0.64) EDNRBEDNRA
Darusentan SCHEMBL795084 0.67 EDNRB (1.00) EDNRBEDNRA
Darusentan SCHEMBL1068546 0.67 EDNRB (1.00) EDNRBEDNRA
SCHEMBL1067551 0.67 EDNRB (0.73) 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
WO-1996000219-A1 PYRIMIDINYL- AND TRIAZINYL-OXY AND THIO-3-HALOALKYL-PROPIONIC ACID DERIVATIVES AS HERBICIDES CIBA-GEIGY AG (CH) 1996-01-04 WO disclosed