Sugi Predict

Sugi Predict / Compounds / Bispyribac

Bispyribac

Bispyribac

SCHEMBL20723830

COc1c(Cl)ccc(Cl)c1C(=O)O.COc1cc(OC)nc(Oc2cccc(Oc3nc(OC)cc(OC)n3)c2C(=O)O)n1

nearest known ligand 0.80

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL8939116 0.89 NPSR1 (0.60) ALDH1A1NPSR1
SCHEMBL9873475 0.88 NPSR1 (0.59) ALDH1A1NPSR1
Bispyribac SCHEMBL20723709 0.87 KDM4E (0.44) KDM4EALDH1A1HSD17B10NPSR1
Bispyribac SCHEMBL4895772 0.87 CA12 (0.56) ALDH1A1NPSR1
Bispyribac SCHEMBL65725 0.87 CA12 (0.56) ALDH1A1NPSR1
SCHEMBL8801724 0.86 ALDH1A1 (0.63) ALDH1A1NPSR1
Bispyribac SCHEMBL2114791 0.86 CA12 (0.54) ALDH1A1NPSR1
Bispyribac SCHEMBL9195440 0.86 CA12 (0.54) ALDH1A1NPSR1
Bispyribac SCHEMBL238471 0.86 CA12 (0.54) ALDH1A1NPSR1
SCHEMBL9190641 0.85 ALDH1A1 (0.64) ALDH1A1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3664609-A1 SYNERGISTIC HERBICIDAL COMBINATIONS UPL Ltd (IN) 2020-06-17 — — EP disclosed
WO-2019030614-A1 SYNERGISTIC HERBICIDAL COMBINATIONS UPL LTD (IN) 2019-02-14 — — WO disclosed