SCHEMBL9939145

SCHEMBL9939145

COC(=O)c1nc(-c2ccc(C)cc2N)cc(N)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP46A1 Q9Y6A2 1/20 0.42
ALPL P05186 3/20 0.40
NQO2 P16083 3/20 0.38
KDM4E B2RXH2 6/20 0.38
PKM P14618 2/20 0.38
ABL1 P00519 1/20 0.38
GAA P10253 1/20 0.38
RCE1 Q9Y256 1/20 0.38
ALDH1A1 P00352 5/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
HSD17B10 Q99714 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
RAB9A P51151 2/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL9939529 0.90 KDM4E (0.40) CYP46A1ALPLNQO2KDM4EPKM
SCHEMBL20727093 0.89 CYP46A1 (0.42) CYP46A1ALPLNQO2KDM4EPKM
SCHEMBL9938790 0.88 ABL1 (0.51) ALPLNQO2KDM4EPKMABL1
SCHEMBL9939346 0.87 KDM4E (0.48) NQO2KDM4EPKMABL1GAA
SCHEMBL9939645 0.86 KDM4E (0.44) NQO2KDM4EPKMABL1GAA
SCHEMBL9938104 0.86 ALPL (0.41) ALPLNQO2KDM4EPKMABL1
SCHEMBL3324552 0.85 ALPL (0.44) CYP46A1ALPLNQO2KDM4EPKM
SCHEMBL9939744 0.84 ALDH1A1 (0.43) NQO2KDM4EPKMABL1GAA
SCHEMBL9938654 0.84 NQO2 (0.40) ALPLNQO2KDM4EPKMABL1
SCHEMBL2468294 0.84 MAPT (0.47) ALPLNQO2KDM4EPKMRCE1

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