SCHEMBL5764489

SCHEMBL5764489

NC(=O)c1c(F)ncc(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
KDM4E B2RXH2 1/20 0.33
ASPH Q12797 1/20 0.33
KDM8 Q8N371 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
TSHR P16473 1/20 0.32
MC4R P32245 1/20 0.32
ADRA1A P35348 1/20 0.32
MC3R P41968 1/20 0.32
KMT2A Q03164 1/20 0.32
PDPK1 O15530 1/20 0.31
NNMT P40261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
SIRT6 Q8N6T7 1/20 0.31
AURKA O14965 2/20 0.31
JAK2 O60674 1/20 0.31
AURKB Q96GD4 1/20 0.31
BACE1 P56817 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
SCHEMBL3105391 0.81 KDM4E (0.42) CA1CA2CA4KDM4EASPH
Hydrochloric Acid SCHEMBL9651745 0.79 KDM4E (0.41) CA1CA2CA4KDM4EASPH
SCHEMBL5112165 0.79 CA1 (0.34) CA1CA2CA4KDM4EASPH
SCHEMBL14791397 0.75 AURKA (0.34) CA1CA2CA4KDM4EASPH
SCHEMBL6276742 0.75 CA12 (0.38) CA1CA2KDM4ETSHR
SCHEMBL25199284 0.72 KDM4E (0.38) KDM4EASPHKDM8ADORA3TSHR
SCHEMBL17185607 0.72 SIRT6 (0.37) ADORA3TSHRMC4RADRA1AMC3R
SCHEMBL2338841 0.71 NAPRT (0.38) KDM4EASPHKDM8ADORA3TSHR
SCHEMBL1004198 0.70 CA1 (0.58) CA1CA2CA4
SCHEMBL7146004 0.69 CES2 (0.46) CA1CA2CA4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1882545-A Substituted nicotinoylcarbamates as pesticides BAYER CROPSCIENCE AG (DE) 2006-12-20 CN disclosed
EP-1685111-A1 SUBSTITUTED NICOTINOYLCARBAMATES AS PESTICIDES Bayer CropScience AG (DE) 2006-08-02 EP disclosed
WO-2005047255-A1 SUBSTITUTED NICOTINOYLCARBAMATES AS PESTICIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-05-26 WO disclosed