SCHEMBL5806166

SCHEMBL5806166

Fc1cc(F)c(-c2c(Cl)nc3ncnn3c2N2C3CCC2CC(Cl)C3)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 12/20 0.35
TSHR P16473 2/20 0.32
GLA P06280 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 2/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
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
SCHEMBL4669016 0.92 PDE2A (0.35) PDE2ATSHRGLANPSR1ALDH1A1
SCHEMBL23943802 0.90 PDE2A (0.34) PDE2ATSHRGLANPSR1ALDH1A1
SCHEMBL4665963 0.90 PDE2A (0.34) PDE2ATSHRGLANPSR1ALDH1A1
SCHEMBL23943801 0.89 PDE2A (0.36) PDE2ATSHRGLANPSR1ALDH1A1
SCHEMBL22818585 0.88 PDE2A (0.33) PDE2ATSHRGLANPSR1ALDH1A1
SCHEMBL22800685 0.88 PDE2A (0.33) PDE2ATSHRGLANPSR1ALDH1A1
SCHEMBL22800687 0.88 PDE2A (0.33) PDE2ATSHRGLANPSR1ALDH1A1
SCHEMBL22800686 0.88 PDE2A (0.33) PDE2ATSHRGLANPSR1ALDH1A1
SCHEMBL4666594 0.81 TSHR (0.37) PDE2ATSHRGLANPSR1ALDH1A1
SCHEMBL4666650 0.80 PDE2A (0.36) PDE2ATSHRALDH1A1POLBKMT2A

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-2006100037-A1 TRIAZOLOPYRIMIDINE DERIVATIVES USEFUL AS MICROBIOCIDES SYNGENTA PARTICIPATIONS AG (CH) 2006-09-28 WO disclosed