SCHEMBL1360894

SCHEMBL1360894

N#Cc1ccc(-c2ccc(C(F)(F)F)cc2C(F)(F)F)cc1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.62
PTGDR2 Q9Y5Y4 1/20 0.51
DGAT1 O75907 1/20 0.48
SOAT1 P35610 1/20 0.48
KCNH2 Q12809 1/20 0.48
PTPN5 P54829 1/20 0.44
CYP11B2 P19099 1/20 0.43
AR P10275 5/20 0.43
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
KDM1A O60341 3/20 0.42
NSD2 O96028 1/20 0.42
MAOB P27338 2/20 0.40
PDK2 Q15119 1/20 0.40
TRPV4 Q9HBA0 1/20 0.40

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
SCHEMBL28668535 0.88 KIF11 (0.57) KIF11PTGDR2PTPN5CYP11B2AR
SCHEMBL397926 0.86 KIF11 (0.65) KIF11PTPN5CYP11B2ARNSD2
SCHEMBL17629903 0.82 KIF11 (0.51) KIF11PTGDR2PTPN5CYP11B2AR
SCHEMBL1407904 0.82 GLA (0.59) KIF11PTGDR2PTPN5CYP11B2AR
SCHEMBL17955138 0.80 KIF11 (0.53) KIF11CYP11B2ARNSD2PDK2
SCHEMBL2371259 0.78 AR (0.47) KIF11PTGDR2ARPDK2TRPV4
SCHEMBL13063632 0.78 KIF11 (1.00) KIF11PTGDR2DGAT1SOAT1KCNH2
SCHEMBL3456838 0.78 KIF11 (1.00) KIF11PTGDR2DGAT1SOAT1KCNH2
SCHEMBL20111544 0.78 KIF11 (0.43) KIF11PTGDR2DGAT1SOAT1KCNH2
SCHEMBL20111587 0.78 ALOX5AP (0.47) KIF11CYP11B2ARALOX5APFEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067638-B2 Amide derivative and insecticide containing the same MITSUI CHEMICALS, INC. (JP) 2011-11-29 US disclosed