SCHEMBL23616665

SCHEMBL23616665

CCOCC(=O)COc1ccccc1Oc1nc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
BCAT2 O15382 1/20 0.31
BCAT1 P54687 1/20 0.31
THRB P10828 1/20 0.31

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
SCHEMBL23616611 0.92 DHODH (0.32) MEN1KMT2A
SCHEMBL19641776 0.90 PPOX (0.39) POLBLMNAKMT2A
SCHEMBL31291100 0.90 PPOX (0.39) POLBLMNAKMT2A
SCHEMBL29435276 0.89 PKM (0.36) POLBMEN1LMNAKMT2ABCAT2
SCHEMBL19641759 0.89 PKM (0.36) POLBMEN1LMNAKMT2ABCAT2
SCHEMBL29577052 0.88 LMNA (0.34) POLBMEN1LMNAKMT2ABCAT2
SCHEMBL20723424 0.88 LMNA (0.34) POLBMEN1LMNAKMT2ABCAT2
SCHEMBL23616634 0.86 SCN9A (0.32) POLBMEN1LMNAKMT2ATHRB
SCHEMBL23616636 0.85 THRB (0.35) POLBMEN1LMNAKMT2ATHRB
SCHEMBL19641808 0.84 SCN9A (0.36) POLBTHRB

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-3464261-B1 HERBICIDAL URACILPYRID BASF SE (DE) 2021-07-07 EP disclosed