SCHEMBL15943296

SCHEMBL15943296

O=C(Nc1ccc(C(F)(F)F)cc1C1CC[N+](O)(Cc2ccc(-c3ncc(Cl)cn3)cc2)CC1)c1ccnc(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
F10 P00742 2/20 0.35
MAPK14 Q16539 1/20 0.35
HDAC4 P56524 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
LIPE Q05469 1/20 0.34
GSK3A P49840 6/20 0.34
GSK3B P49841 6/20 0.34
MAPT P10636 3/20 0.34
KDM1A O60341 1/20 0.34
HDAC1 Q13547 1/20 0.34
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 1/20 0.33
KCNE1 P15382 1/20 0.33
KCNQ1 P51787 1/20 0.33
BTK Q06187 1/20 0.33
KDM4C Q9H3R0 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
SCHEMBL2680858 0.92 MEN1 (0.38) MEN1KMT2AF10MAPK14HDAC4
SCHEMBL12153454 0.91 GSK3B (0.39) MEN1KMT2AMAPK14HDAC4ALDH1A1
SCHEMBL2681885 0.86 F10 (0.44) MEN1KMT2AF10
Hydrochloric Acid SCHEMBL2681741 0.85 F10 (0.43) MEN1KMT2AF10
SCHEMBL1033145 0.85 HIF1A (0.38) MEN1KMT2AF10ALDH1A1GAA
Acetic Acid SCHEMBL2680690 0.84 F10 (0.42) MEN1KMT2AF10HDAC1
SCHEMBL12153550 0.81 GSK3B (0.38) MEN1KMT2AF10MAPK14LIPE
SCHEMBL2680721 0.81 HIF1A (0.42) MEN1KMT2AF10GSK3B
SCHEMBL4401609 0.81 MAPK14 (0.38) F10MAPK14ALDH1A1GAAGSK3A
SCHEMBL12535747 0.80 GSK3B (0.40) MEN1KMT2AMAPK14GSK3AGSK3B

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
EP-2451801-B1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-08-13 EP disclosed