SCHEMBL9937845

SCHEMBL9937845

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 4/20 0.36
PKM P14618 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NQO2 P16083 4/20 0.35
RCE1 Q9Y256 1/20 0.34
ABL1 P00519 1/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
CASP3 P42574 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
CFTR P13569 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
PDGFRB P09619 1/20 0.33
KDR P35968 1/20 0.33
ALPL P05186 1/20 0.33
GAA P10253 3/20 0.33
HPGD P15428 2/20 0.33

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
SCHEMBL9939289 0.91 ALDH1A1 (0.37) ALDH1A1KDM4EPKML3MBTL1SMN1; SMN2
SCHEMBL16036447 0.86 ALPL (0.41) ALDH1A1KDM4EPKML3MBTL1SMN1; SMN2
SCHEMBL29557323 0.86 ALPL (0.41) ALDH1A1KDM4EPKML3MBTL1SMN1; SMN2
SCHEMBL16075495 0.86 ALDH1A1 (0.40) ALDH1A1KDM4EPKML3MBTL1SMN1; SMN2
SCHEMBL16075498 0.85 CTSA (0.40) ALDH1A1KDM4EPKML3MBTL1SMN1; SMN2
SCHEMBL9939004 0.84 KDM4E (0.38) ALDH1A1KDM4EPKML3MBTL1SMN1; SMN2
SCHEMBL16075499 0.83 NQO2 (0.34) ALDH1A1KDM4EPKML3MBTL1SMN1; SMN2
SCHEMBL9937769 0.83 ABL1 (0.47) ALDH1A1KDM4EPKML3MBTL1SMN1; SMN2
SCHEMBL2465128 0.83 ALPL (0.44) ALDH1A1KDM4EPKML3MBTL1SMN1; SMN2
SCHEMBL16075513 0.82 DHPS (0.40) ALDH1A1KDM4EPKML3MBTL1SMN1; SMN2

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