SCHEMBL4669016

SCHEMBL4669016

Fc1cc(F)c(-c2c(Cl)nc3ncnn3c2N2C3CCC2CC3)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 13/20 0.35
TSHR P16473 2/20 0.35
GLA P06280 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
MAPK1 P28482 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 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
SCHEMBL23943801 0.96 PDE2A (0.36) PDE2ATSHRGLANPSR1KMT2A
SCHEMBL5806166 0.92 PDE2A (0.35) PDE2ATSHRGLANPSR1KMT2A
SCHEMBL4665963 0.91 PDE2A (0.34) PDE2ATSHRGLANPSR1KMT2A
SCHEMBL23943802 0.91 PDE2A (0.34) PDE2ATSHRGLANPSR1KMT2A
SCHEMBL22800687 0.88 PDE2A (0.33) PDE2ATSHRGLANPSR1KMT2A
SCHEMBL22800686 0.88 PDE2A (0.33) PDE2ATSHRGLANPSR1KMT2A
SCHEMBL22818585 0.88 PDE2A (0.33) PDE2ATSHRGLANPSR1KMT2A
SCHEMBL22800685 0.88 PDE2A (0.33) PDE2ATSHRGLANPSR1KMT2A
SCHEMBL4666650 0.85 PDE2A (0.36) PDE2ATSHRKMT2AALDH1A1POLB
SCHEMBL14416878 0.84 PDE2A (0.37) PDE2ATSHRGLANPSR1KMT2A

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-1980150-A1 Fungicidal mixtures based on triazolopyrimidine compounds BASF SE (DE) 2008-10-15 EP claimed
EP-1980150-A1 Fungicidal mixtures based on triazolopyrimidine compounds BASF SE (DE) 2008-10-15 EP disclosed