SCHEMBL4667880

SCHEMBL4667880

Fc1cc(F)c(-c2c(Cl)nc3ncnn3c2N2CC3CCC(C3)C2)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 15/20 0.35
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 2/20 0.33
GLA P06280 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPK1 P28482 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
SCHEMBL4666012 0.89 MAPK1 (0.34) PDE2AGAAL3MBTL1TSHRGLA
SCHEMBL14416878 0.87 PDE2A (0.37) PDE2AGAAL3MBTL1TSHRGLA
SCHEMBL4667822 0.85 MAPK1 (0.34) PDE2AGAAL3MBTL1TSHRGLA
SCHEMBL4667784 0.84 GAA (0.35) PDE2AGAAL3MBTL1TSHRGLA
SCHEMBL4666615 0.84 PDE2A (0.35) PDE2AGAATSHRGLANPSR1
SCHEMBL4666650 0.83 PDE2A (0.36) PDE2ATSHRALDH1A1POLBKMT2A
SCHEMBL81282 0.83 TSHR (0.41) PDE2AGAAL3MBTL1TSHRGLA
SCHEMBL7821613 0.83 PDE2A (0.38) PDE2ATSHRGLANPSR1ALDH1A1
SCHEMBL20439999 0.83 EGLN2 (0.42) PDE2AGAAL3MBTL1TSHRGLA
SCHEMBL974960 0.82 LMNA (0.36) PDE2ATSHRGLANPSR1ALDH1A1

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