SCHEMBL16014572

SCHEMBL16014572

O=C(O)Oc1cc(C(F)F)nn1-c1ncccc1Cl

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 6/20 0.37
LIMK1 P53667 2/20 0.37
LIMK2 P53671 2/20 0.37
TRPV1 Q8NER1 2/20 0.36
MALT1 Q9UDY8 4/20 0.34
SMARCA2 P51531 1/20 0.33
HIF1A Q16665 1/20 0.33
PDE4B Q07343 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL16014742 0.84 TRPA1 (0.36) TRPA1TRPV1MALT1HIF1A
SCHEMBL16014768 0.82 TRPA1 (0.37) TRPA1TRPV1MALT1HIF1A
SCHEMBL16014859 0.81 TRPA1 (0.41) TRPA1TRPV1MALT1
SCHEMBL30070407 0.81 ALDH1A1 (0.44) TRPA1LIMK1LIMK2TRPV1MALT1
SCHEMBL4072179 0.81 ALDH1A1 (0.44) TRPA1LIMK1LIMK2TRPV1MALT1
SCHEMBL16014860 0.81 KDM4E (0.44) TRPA1TRPV1MALT1ALDH1A1
SCHEMBL16014772 0.81 SLC16A3 (0.38) TRPA1TRPV1MALT1HIF1A
SCHEMBL15361834 0.80 SLC16A3 (0.39) TRPA1TRPV1MALT1HIF1A
SCHEMBL16014804 0.80 MALT1 (0.39) TRPA1TRPV1MALT1
SCHEMBL16014576 0.79 TRPA1 (0.38) TRPA1TRPV1MALT1

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-2964629-A1 ALKOXIMINO-SUBSTITUTED ANTHRANILIC ACID DIAMIDES AS PESTICIDES Bayer CropScience Aktiengesellschaft (DE) 2016-01-13 EP disclosed
WO-2014135588-A1 ALKOXIMINO-SUBSTITUTED ANTHRANILIC ACID DIAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2014-09-12 WO disclosed