SCHEMBL9341831

SCHEMBL9341831

COc1cc(OC)nc(C(C)(C(=O)O)c2cccc(Cl)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ EDNRB P24530 11/20 0.41
▸ EDNRA P25101 11/20 0.41
▸ MAOA P21397 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ PKM P14618 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
SCHEMBL9340877 0.88 CNR2 (0.42) EDNRBEDNRA
SCHEMBL9339964 0.75 GRM5 (0.33) EDNRBEDNRA
SCHEMBL9367409 0.74 EDNRB (0.63) EDNRBEDNRA
SCHEMBL29805344 0.73 KMT2A (0.46) PKM
SCHEMBL19125667 0.73 KMT2A (0.46) PKM
SCHEMBL17825492 0.71 KDM4E (0.42) EDNRBEDNRA
SCHEMBL8975656 0.71 EDNRB (0.49) EDNRBEDNRA
SCHEMBL9372834 0.70 EDNRB (0.52) EDNRBEDNRA
SCHEMBL1628254 0.70 AKR1C3 (0.50) PKM
SCHEMBL8872070 0.70 EDNRB (0.48) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0410590-B1 Pyrimidinyl herbicides AGREVO UK LTD (GB) 1994-06-22 — — EP claimed
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