SCHEMBL28790773

SCHEMBL28790773

C=Cc1ccccc1-c1nc(C2CCN(C(Cn3nc(C(F)(F)F)cc3C)C(=O)C(Cn3nc(C(F)(F)F)cc3C)N3CCC(c4nc(-c5ccccc5C=C)c(Br)s4)CC3)CC2)sc1Br

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
CCR1 P32246 2/20 0.32
AGTR2 P50052 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30

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
SCHEMBL28793979 0.85 GAA (0.34) GAAKDM4EPOLBTSHRCCR1
SCHEMBL28790771 0.81 KDM4E (0.36) GAAKDM4EPOLBTSHRCCR1
SCHEMBL28793977 0.74 KDM4E (0.37) GAAKDM4EPOLBTSHRCCR1
SCHEMBL27891244 0.73 KDM4E (0.38) GAAKDM4EPOLBTSHRCCR1
SCHEMBL27915189 0.73 GAA (0.40) GAAKDM4EPOLBTSHRCCR1
SCHEMBL27828775 0.73 GAA (0.38) GAAKDM4EPOLBTSHRCCR1
SCHEMBL27844626 0.72 GAA (0.39) GAAKDM4EPOLBTSHRCCR1
SCHEMBL27891229 0.72 GAA (0.39) GAAKDM4EPOLBTSHRCCR1
SCHEMBL27925067 0.70 GAA (0.41) GAAKDM4EPOLBTSHRCCR1
SCHEMBL28790775 0.70 KDM4E (0.33) GAAKDM4EPOLBTSHRCCR1

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
CN-102216296-A Heterocyclyl-substituted thiazoles as plant protection agents BAYER CROPSCIENCE AG 2011-10-12 CN disclosed