SCHEMBL2591656

SCHEMBL2591656

COC(=O)C(OC)Oc1ncccc1Oc1cc(-c2c(C(F)(F)F)n(C)c(=O)[nH]c2=O)c(F)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 14/20 0.37
DRD5 P21918 1/20 0.36
KMO O15229 1/20 0.34
BRAF P15056 3/20 0.33
CYP3A4 P08684 1/20 0.33
UGCG Q16739 1/20 0.33
MAP2 P11137 1/20 0.32

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
SCHEMBL2587905 0.94 DRD1 (0.37) DRD1DRD5KMO
SCHEMBL2587115 0.89 BCAT2 (0.34) BRAFMAP2
SCHEMBL2582116 0.86 SCN8A (0.33)
SCHEMBL18894374 0.85 DRD1 (0.39) DRD1DRD5KMOBRAF
SCHEMBL18614679 0.84 DRD1 (0.40) DRD1DRD5
SCHEMBL2587117 0.83 BCAT2 (0.32) BRAF
SCHEMBL2590560 0.83 BCAT2 (0.34) MAP2
SCHEMBL2591602 0.82 BCAT2 (0.34) MAP2
SCHEMBL2582391 0.82 BCAT2 (0.32) BRAFMAP2
SCHEMBL2580415 0.81 BCAT2 (0.32)

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-2011137088-A1 HERBICIDAL URACILS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-11-03 WO disclosed