SCHEMBL9084366

SCHEMBL9084366

COc1cc(OC)nc(OC(C(=O)N(C)[C@@H](C)C(=O)O)C(C)C)n1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
EDNRB P24530 16/20 0.44
EDNRA P25101 16/20 0.44
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL9083868 0.85 EDNRB (0.39) EDNRBEDNRALMNATDP1
SCHEMBL7825117 0.83 EDNRB (0.52) EDNRBEDNRALMNATDP1
SCHEMBL14325441 0.83 EDNRB (0.52) EDNRBEDNRALMNATDP1
SCHEMBL12095210 0.82 EDNRB (0.41) EDNRBEDNRALMNATDP1
SCHEMBL12095267 0.78 SMN1; SMN2 (0.42) EDNRBEDNRALMNATDP1
SCHEMBL14298965 0.77 EDNRB (0.46) EDNRBEDNRALMNATDP1
SCHEMBL14298973 0.77 EDNRB (0.46) EDNRBEDNRALMNATDP1
SCHEMBL7808396 0.76 EDNRB (0.45) EDNRBEDNRALMNATDP1
SCHEMBL12095218 0.76 EDNRB (0.45) EDNRBEDNRALMNATDP1
SCHEMBL9230745 0.75 ALOX5 (0.36) EDNRBEDNRALMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0601155-A1 PYRIMIDINYL-AND TRIAZINYL COMPOUNDS WITH HERBICIDAL ACTIVITY Novartis AG (CH) 1994-06-15 EP claimed
WO-1993025540-A1 PYRIMIDINYL-AND TRIAZINYL COMPOUNDS WITH HERBICIDAL ACTIVITY CIBA-GEIGY AG (CH) 1993-12-23 WO claimed
US-5482920-A Triazinyl compounds with herbicidal activity CIBA-GEIGY CORPORATION (US) 1996-01-09 US disclosed
EP-0601155-A1 PYRIMIDINYL-AND TRIAZINYL COMPOUNDS WITH HERBICIDAL ACTIVITY Novartis AG (CH) 1994-06-15 EP disclosed
WO-1993025540-A1 PYRIMIDINYL-AND TRIAZINYL COMPOUNDS WITH HERBICIDAL ACTIVITY CIBA-GEIGY AG (CH) 1993-12-23 WO disclosed