SCHEMBL3433408

SCHEMBL3433408

O=C(c1cc2cccnc2nc1C(F)(F)F)c1cc2cccnc2nc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.43
MEN1 O00255 2/20 0.41
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
DHODH Q02127 2/20 0.38
HCAR2 Q8TDS4 1/20 0.37
CNR2 P34972 2/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
ALDH1A1 P00352 2/20 0.36
XPO1 O14980 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
PARP1 P09874 1/20 0.35
ELANE P08246 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
GMNN O75496 1/20 0.35

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
SCHEMBL125418 0.89 KDM4E (0.47) MGLLMEN1LMNAKMT2AKDM4E
SCHEMBL5717652 0.88 PARP1 (0.46) MGLLMEN1LMNAKMT2AKDM4E
SCHEMBL13312285 0.88 MGLL (0.44) MGLLMEN1LMNAKMT2AKDM4E
SCHEMBL123859 0.88 MGLL (0.42) MGLLMEN1LMNAKMT2AKDM4E
SCHEMBL973413 0.84 ALOX15 (0.45) MGLLKMT2AKDM4EHTTALDH1A1
SCHEMBL11909549 0.84 LMNA (0.50) MGLLMEN1LMNAKMT2AKDM4E
SCHEMBL1021586 0.83 MGLL (0.43) MGLLDHODHCNR2HCRTR1HCRTR2
SCHEMBL30813138 0.81 KDM4E (0.53) KDM4EHTTALDH1A1NFKB1
SCHEMBL123322 0.81 KDM4E (0.53) KDM4EHTTALDH1A1NFKB1
SCHEMBL30440154 0.80 MGLL (0.40) MGLLMEN1LMNAKMT2AKDM4E

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
CN-102006777-A Herbicidal coumpounds SYNGENTA LTD 2011-04-06 CN disclosed
EP-2265120-A1 HERBICIDAL COUMPOUNDS Syngenta Limited (GB) 2010-12-29 EP disclosed
WO-2009115788-A1 HERBICIDAL COUMPOUNDS SYNGENTA LIMITED (GB) 2009-09-24 WO disclosed