SCHEMBL6030331

SCHEMBL6030331

Cc1cc(C(=N)N)c(C)cc1Oc1cccc(C(F)(F)F)c1F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 1/20 0.39
F10 P00742 8/20 0.37
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
CD38 P28907 1/20 0.34
F2 P00734 2/20 0.34
SCN9A Q15858 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
MAP2K1 Q02750 1/20 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
SCHEMBL6029770 0.86 MRGPRX4 (0.37) F10NR1H2NR1H3SCN9AMAP2K1
SCHEMBL7952610 0.76 F10 (0.51) F10F2
SCHEMBL28468855 0.74 IDO1 (0.41) CHEK2MAP2K1
SCHEMBL14397396 0.73 AR (0.48)
SCHEMBL6905031 0.67 GRIN2B (0.31)
SCHEMBL4448034 0.67 GRIN2B (0.33)
SCHEMBL4448032 0.67 GRIN2B (0.33)
SCHEMBL14649864 0.67 L3MBTL1 (0.40)
SCHEMBL15923424 0.67 MAPK10 (0.41) NR1H2NR1H3CD38
SCHEMBL14397648 0.66 AR (0.44) CHEK2

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-1722629-A1 FUNGICIDE COMPOSITION COMPRISING AN ARYLAMIDINE DERIVATIVE AND KNOWN FUNGICIDE COMPOUNDS Bayer CropScience S.A. (FR) 2006-11-22 EP disclosed
WO-2005089547-A1 FUNGICIDE COMPOSITION COMPRISING AN ARYLAMIDINE DERIVATIVE AND KNOWN FUNGICIDE COMPOUNDS BAYER CROPSCIENCE SA (FR) 2005-09-29 WO disclosed