SCHEMBL16712286

SCHEMBL16712286

COC(=O)Oc1nc(-c2ccc(Cl)c(OC)c2F)nc(O)c1OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEP1B Q16820 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TAS1R3 Q7RTX0 4/20 0.34
▸ TAS1R1 Q7RTX1 4/20 0.34
▸ TAS1R2 Q8TE23 3/20 0.34
▸ SCN9A Q15858 2/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ PDCD1LG2 Q9BQ51 1/20 0.30
▸ CD274 Q9NZQ7 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ SCN10A Q9Y5Y9 1/20 0.30
▸ HSD17B1 P14061 1/20 0.30
▸ HSD17B2 P37059 1/20 0.30
▸ PTGES O14684 1/20 0.30
▸ TPMT P51580 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ TSPO P30536 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
SCHEMBL16712289 0.91 TAS1R3 (0.36) MEP1BTAS1R3TAS1R1SCN9AKMT2A
SCHEMBL16712292 0.90 MEP1B (0.38) MEP1BALDH1A1KDM4EHSD17B10TAS1R3
SCHEMBL17745513 0.87 DHPS (0.38) MEP1BALDH1A1KDM4EHSD17B10TAS1R3
SCHEMBL2596682 0.84 MEP1B (0.36) MEP1BALDH1A1KDM4EHSD17B10TAS1R3
SCHEMBL1396996 0.83 ALDH1A1 (0.38) MEP1BALDH1A1KDM4EHSD17B10TAS1R3
SCHEMBL1115268 0.81 TAS1R3 (0.39) MEP1BALDH1A1KDM4EHSD17B10TAS1R3
SCHEMBL17745506 0.79 MEP1B (0.35) MEP1BALDH1A1KDM4EHSD17B10TAS1R3
SCHEMBL16712267 0.79 ALDH1A1 (0.43) MEP1BALDH1A1KDM4EHSD17B10TAS1R3
SCHEMBL17745511 0.77 ALDH1A1 (0.38) MEP1BALDH1A1KDM4EHSD17B10TAS1R3
SCHEMBL1114950 0.77 TAS1R3 (0.38) MEP1BALDH1A1KDM4EHSD17B10TAS1R3

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-2279178-B1 2-(substituted phenyl)-6-hydroxy- or alkoxy-5-substituted-4-pyrimidinecarboxylates and their use as herbicides DOW AGROSCIENCES LLC (US) 2015-05-20 — — EP claimed
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