SCHEMBL9938995

SCHEMBL9938995

COC(=O)c1nc(-c2c(F)cc(F)c(F)c2N)cc(N)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 4/20 0.38
KDM4E B2RXH2 4/20 0.34
PKM P14618 2/20 0.34
RCE1 Q9Y256 1/20 0.34
ABL1 P00519 1/20 0.34
ALDH1A1 P00352 6/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 1/20 0.33
ALPL P05186 2/20 0.33
GAA P10253 1/20 0.33
CFTR P13569 1/20 0.32
CGAS Q8N884 1/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 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
SCHEMBL3333516 0.87 NQO2 (0.36) NQO2KDM4EPKMRCE1ABL1
SCHEMBL9938891 0.86 ABL1 (0.40) NQO2KDM4EPKMRCE1ABL1
SCHEMBL20727045 0.85 NQO2 (0.36) NQO2KDM4EPKMRCE1ABL1
SCHEMBL3327668 0.85 NQO2 (0.36) NQO2KDM4EPKMRCE1ABL1
SCHEMBL9938782 0.85 NQO2 (0.38) NQO2KDM4EPKMRCE1ABL1
SCHEMBL3329685 0.85 NQO2 (0.34) NQO2KDM4EPKMRCE1ABL1
SCHEMBL16047076 0.84 NQO2 (0.38) NQO2KDM4EPKMRCE1ABL1
SCHEMBL3329287 0.84 NQO2 (0.38) NQO2KDM4EPKMRCE1ABL1
SCHEMBL16075440 0.84 CFTR (0.36) NQO2KDM4EPKMRCE1ABL1
SCHEMBL9938615 0.84 ABL1 (0.39) NQO2KDM4EPKMRCE1ABL1

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
EP-2665710-A1 6-(2-AMINOPHENYL)PICOLINATES AND THEIR USE AS HERBICIDES Bayer Intellectual Property GmbH (DE) 2013-11-27 EP disclosed
CN-103380116-A 6-(2-aminophenyl)picolinates and their use as herbicides BAYER IP GMBH 2013-10-30 CN disclosed
WO-2012080187-A1 6-(2-AMINOPHENYL)PICOLINATES AND THEIR USE AS HERBICIDES BAYER CROPSCIENCE AG (DE) 2012-06-21 WO disclosed