SCHEMBL9412661

SCHEMBL9412661

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

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 18/20 0.39
EDNRA P25101 18/20 0.39
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL9295985 0.78 EDNRB (0.40) EDNRBEDNRAL3MBTL1LMNATDP1
SCHEMBL9412460 0.72 RECQL (0.32)
SCHEMBL9367315 0.69 EDNRB (0.59) EDNRBEDNRALMNATDP1
SCHEMBL9367683 0.68 EDNRB (0.66) EDNRBEDNRALMNATDP1
SCHEMBL7811183 0.67 EDNRB (0.55) EDNRBEDNRA
SCHEMBL9296713 0.67 EDNRB (0.47) EDNRBEDNRAL3MBTL1LMNATDP1
SCHEMBL9372708 0.67 EDNRB (0.64) EDNRBEDNRALMNATDP1
SCHEMBL14298980 0.67 L3MBTL1 (0.46) EDNRBEDNRAL3MBTL1LMNATDP1
SCHEMBL6335452 0.66 L3MBTL1 (0.48) EDNRBEDNRAL3MBTL1LMNATDP1
SCHEMBL9412740 0.66 EDNRB (0.43) EDNRBEDNRAL3MBTL1LMNATDP1

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
EP-0630890-A2 Pyrimidine derivatives NIHON BAYER AGROCHEM K.K. (JP) 1994-12-28 EP disclosed