SCHEMBL28790771

SCHEMBL28790771

Cc1cc(C(F)(F)F)nn1CC(C(=O)C(Cn1nc(C(F)(F)F)cc1C)N1CCC(c2nc(C=Cc3ccccc3)c(Br)s2)CC1)N1CCC(c2nc(C=Cc3ccccc3)c(Br)s2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
POLB P06746 2/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 1/20 0.35
CCR1 P32246 2/20 0.33
MEN1 O00255 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
AGTR2 P50052 1/20 0.32
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
ALDH1A1 P00352 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 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
SCHEMBL28790775 0.89 KDM4E (0.33) KDM4EPOLBTSHRGAACCR1
SCHEMBL28793977 0.85 KDM4E (0.37) KDM4EPOLBTSHRGAACCR1
SCHEMBL28790773 0.81 GAA (0.33) KDM4EPOLBTSHRGAACCR1
SCHEMBL27891244 0.77 KDM4E (0.38) KDM4EPOLBTSHRGAACCR1
SCHEMBL27915189 0.75 GAA (0.40) KDM4EPOLBTSHRGAACCR1
SCHEMBL27844626 0.74 GAA (0.39) KDM4EPOLBTSHRGAACCR1
SCHEMBL28793979 0.74 GAA (0.34) KDM4EPOLBTSHRGAACCR1
SCHEMBL27891229 0.73 GAA (0.39) KDM4EPOLBTSHRGAACCR1
SCHEMBL28793981 0.73 KDM4E (0.34) KDM4EPOLBTSHRGAACCR1
SCHEMBL27828775 0.73 GAA (0.38) KDM4EPOLBTSHRGAACCR1

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