SCHEMBL9295985

SCHEMBL9295985

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

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 17/20 0.40
EDNRA P25101 17/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
RECQL P46063 1/20 0.36
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
SCHEMBL9412661 0.78 EDNRB (0.39) EDNRBEDNRAL3MBTL1LMNATDP1
SCHEMBL1065348 0.77 EDNRB (0.62) EDNRBEDNRA
SCHEMBL6781564 0.75 EDNRB (0.49) EDNRBEDNRA
SCHEMBL14298980 0.71 L3MBTL1 (0.46) EDNRBEDNRAL3MBTL1LMNATDP1
SCHEMBL6335452 0.70 L3MBTL1 (0.48) EDNRBEDNRAL3MBTL1LMNATDP1
SCHEMBL9412740 0.70 EDNRB (0.43) EDNRBEDNRAL3MBTL1LMNATDP1
SCHEMBL9367373 0.70 EDNRB (0.38) EDNRBEDNRAL3MBTL1RECQL
SCHEMBL9367368 0.70 EDNRB (0.38) EDNRBEDNRAL3MBTL1RECQL
SCHEMBL9367315 0.70 EDNRB (0.59) EDNRBEDNRALMNATDP1
SCHEMBL9367683 0.69 EDNRB (0.66) EDNRBEDNRALMNATDP1

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-5318945-A Herbicides; plant growth regulators; pyrimidin-2-yl-oxy- or thio-derivatives BASF AKTIENGESELLSCHAFT (DE) 1994-06-07 US disclosed