SCHEMBL8975651

SCHEMBL8975651

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

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 9/20 0.47
EDNRA P25101 9/20 0.47
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL9459527 0.74 EDNRB (0.53) EDNRBEDNRA
SCHEMBL12096276 0.74 EDNRB (0.53) EDNRBEDNRA
SCHEMBL8584199 0.74 KDM4E (0.51) EDNRBEDNRALMNATDP1NPSR1
SCHEMBL12095204 0.74 EDNRB (0.59) EDNRBEDNRA
SCHEMBL9459285 0.74 EDNRB (0.59) EDNRBEDNRA
SCHEMBL21753455 0.73 KDM4E (0.50) EDNRBEDNRALMNATDP1NPSR1
SCHEMBL14298981 0.72 EDNRB (0.54) EDNRBEDNRA
SCHEMBL2401919 0.72 KMT2A (0.64) LMNA
SCHEMBL2078143 0.72 KMT2A (0.64) LMNA
SCHEMBL7012356 0.72 LMNA (0.56) 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-5502028-A Herbicidal pyrimidinyl or triazinyl haloacetic acid derivatives SCHERING AGROCHEMICALS LIMITED (GB) 1996-03-26 US disclosed