SCHEMBL28015263

SCHEMBL28015263

Cn1nc(C(=O)O)c(C(F)(F)F)c1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.39
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 3/20 0.33
PKM P14618 2/20 0.33
GLA P06280 1/20 0.33
KDM4E B2RXH2 2/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
PDE2A O00408 1/20 0.31
ATM Q13315 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
SCHEMBL2363178 0.83 PKM (0.40) POLBMAPTTDP1L3MBTL1NPC1
SCHEMBL4218277 0.81 MAPT (0.39) POLBMAPTTDP1L3MBTL1PKM
SCHEMBL11899399 0.80 PKM (0.43) POLBMAPTTDP1L3MBTL1NPC1
SCHEMBL13365039 0.80 PKM (0.38) POLBMAPTTDP1L3MBTL1NPC1
SCHEMBL32691277 0.80 POLB (0.38) POLBMAPTTDP1L3MBTL1NPC1
SCHEMBL2362708 0.79 L3MBTL1 (0.37) POLBMAPTTDP1L3MBTL1NPC1
SCHEMBL2362502 0.77 POLB (0.36) POLBMAPTTDP1L3MBTL1PKM
SCHEMBL13365037 0.75 POLB (0.37) POLBMAPTTDP1L3MBTL1PKM
SCHEMBL32691268 0.74 PTGER1 (0.46) POLBGLAKDM4E
SCHEMBL3138514 0.72 POLB (0.43) POLBMAPTTDP1L3MBTL1NPC1

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-102317263-B Halogen substituted compounds as pesticides BAYER IP GMBH 2015-04-22 CN disclosed