SCHEMBL9939004

SCHEMBL9939004

COC(=O)c1nc(-c2cc(Cl)c(Cl)c(Cl)c2N)c(F)c(N)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
PKM P14618 2/20 0.38
RCE1 Q9Y256 1/20 0.38
NQO2 P16083 6/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CFTR P13569 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALPL P05186 2/20 0.34
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
ATM Q13315 2/20 0.32
HSD17B10 Q99714 1/20 0.32
ABL1 P00519 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL16076566 0.86 ALPL (0.43) KDM4EPKMRCE1NQO2GAA
SCHEMBL29557323 0.85 ALPL (0.41) KDM4EPKMRCE1NQO2GAA
SCHEMBL16036447 0.85 ALPL (0.41) KDM4EPKMRCE1NQO2GAA
SCHEMBL2465128 0.84 ALPL (0.44) KDM4EPKMALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL16045948 0.84 KDM4E (0.39) KDM4EPKMRCE1NQO2GAA
SCHEMBL9937845 0.84 ALDH1A1 (0.36) KDM4EPKMRCE1NQO2GAA
SCHEMBL3327065 0.83 GAA (0.39) KDM4EPKMRCE1NQO2GAA
SCHEMBL16075495 0.82 ALDH1A1 (0.40) KDM4EPKMRCE1NQO2GAA
SCHEMBL16075498 0.81 CTSA (0.40) KDM4EPKMRCE1GAAALDH1A1
SCHEMBL16075499 0.81 NQO2 (0.34) KDM4EPKMRCE1NQO2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2665710-A1 6-(2-AMINOPHENYL)PICOLINATES AND THEIR USE AS HERBICIDES Bayer Intellectual Property GmbH (DE) 2013-11-27 EP disclosed
WO-2012080187-A1 6-(2-AMINOPHENYL)PICOLINATES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-06-21 WO disclosed