SCHEMBL9236361

SCHEMBL9236361

COc1cc(OC)nc(OC(O)(C#N)c2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 14/20 0.50
EDNRA P25101 14/20 0.50
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL9238383 0.80 EDNRB (0.44) EDNRBEDNRAL3MBTL1
SCHEMBL9237590 0.78 EDNRB (0.48) EDNRBEDNRA
SCHEMBL9236776 0.77 EDNRB (0.46) EDNRBEDNRA
SCHEMBL12095262 0.72 EDNRB (0.54) EDNRBEDNRA
SCHEMBL6384303 0.72 CES1 (0.40)
SCHEMBL10614542 0.71 ATM (0.34)
SCHEMBL8096502 0.71 ATM (0.34)
SCHEMBL12095209 0.70 EDNRB (0.52) EDNRBEDNRA
SCHEMBL14881210 0.69 EDNRB (0.52) EDNRBEDNRA
SCHEMBL8872002 0.69 EDNRB (0.44) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7053528-A None JP disclosed
EP-0643048-A2 Cyano-containing pyrimidine derivatives and their use as herbicides NIHON BAYER AGROCHEM K.K. (JP) 1995-03-15 EP disclosed
JP-H0753528-A CYANO-CONTAINING PYRIMIDINE DERIVATIVE AND HERBICIDE NIPPON BAYERAGROCHEM KK 1995-02-28 JP disclosed