SCHEMBL12786348

SCHEMBL12786348

C=C(C)Cc1c(N)cc(-c2ccc(Cl)c(OC)c2F)nc1C=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MEP1B Q16820 1/20 0.33
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 1/20 0.30
▸ KLKB1 P03952 1/20 0.30

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
SCHEMBL18637817 0.84 HSP90AA1 (0.34) MEP1BALOX5APFEN1
SCHEMBL11903122 0.83 KDM4E (0.35) MEP1BKLKB1
SCHEMBL14999573 0.74 MEP1B (0.35) MEP1BALOX5APFEN1KLKB1
SCHEMBL693563 0.74 MEP1B (0.33) MEP1BKLKB1
SCHEMBL15488816 0.73 ALDH1A1 (0.37) MEP1BALOX5APFEN1
SCHEMBL27784375 0.73 ALOX5AP (0.34) MEP1BALOX5APFEN1
SCHEMBL15081188 0.72 MEP1B (0.36) MEP1BALOX5APFEN1KLKB1
SCHEMBL1917394 0.72 KDM4E (0.37) MEP1B
SCHEMBL17993952 0.72 ALDH1A1 (0.36) MEP1BALOX5APFEN1KLKB1
SCHEMBL3766447 0.72 HSP90AA1 (0.37) ALOX5APFEN1

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
WO-2011045561-A2 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2011-04-21 — — WO disclosed
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