SCHEMBL28215325

SCHEMBL28215325

NCc1ccc(C2CC2(F)F)c(CC(N)=O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CA2 P00918 1/20 0.33
CHRM2 P08172 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
PLAU P00749 3/20 0.32
PLG P00747 2/20 0.32
KLKB1 P03952 2/20 0.32
CFD P00746 1/20 0.32
F11 P03951 1/20 0.32
F7 P08709 1/20 0.32
TPSB2 P20231 1/20 0.32
TPSAB1 Q15661 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
PLAT P00750 1/20 0.31
PRSS1 P07477 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
SCHEMBL29467944 0.72 CA2 (0.41) CA2LOXL2
SCHEMBL26687922 0.72 CA2 (0.41) CA2LOXL2
SCHEMBL31481166 0.71 CA2 (0.48) SLC6A2SLC6A4SLC6A3CA2
SCHEMBL15727449 0.70 MAOB (0.33) CA2
SCHEMBL28342984 0.69 CA2 (0.41) CA2PLAUPLGKLKB1CFD
SCHEMBL4242578 0.67 CA2 (0.67) CA2TPSAB1HDAC3HDAC6NCOR2
SCHEMBL28215313 0.66 HSD17B10 (0.47) CA2
SCHEMBL28047583 0.66 HSP90AA1 (0.42) CA2PLGLOXL2
Hydrochloric Acid SCHEMBL27709026 0.66 CA2 (0.64) CA2F11TPSAB1HDAC3HDAC6
SCHEMBL7770968 0.65 ENPP2 (0.52) CA2LOXL2

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-108025189-A Molecules having pesticidal utility, and intermediates, compositions and methods related thereto 美国陶氏益农公司 2018-05-11 CN disclosed