SCHEMBL44772

SCHEMBL44772

O=C(O)Oc1cc(/C=C/n2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.35
TRPV1 Q8NER1 2/20 0.35
MALT1 Q9UDY8 2/20 0.32
SLC16A3 O15427 1/20 0.31
SLC16A1 P53985 1/20 0.31
DHODH Q02127 1/20 0.30

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
SCHEMBL341061 0.86 TRPV1 (0.33) TRPA1TRPV1MALT1
SCHEMBL341062 0.86 TRPV1 (0.33) TRPA1TRPV1MALT1
SCHEMBL340885 0.84 MALT1 (0.35) TRPA1TRPV1MALT1DHODH
SCHEMBL45427 0.84 MALT1 (0.35) TRPA1TRPV1MALT1DHODH
SCHEMBL45475 0.83 TRPA1 (0.35) TRPA1TRPV1MALT1DHODH
SCHEMBL9995992 0.78 TRPA1 (0.36) TRPA1TRPV1SLC16A3SLC16A1DHODH
SCHEMBL9995946 0.78 TRPA1 (0.35) TRPA1TRPV1MALT1SLC16A3SLC16A1
SCHEMBL45281 0.77 TRPA1 (0.35) TRPA1TRPV1MALT1SLC16A3SLC16A1
SCHEMBL16014860 0.76 KDM4E (0.44) TRPA1TRPV1MALT1
SCHEMBL45189 0.76 TRPA1 (0.34) TRPA1TRPV1SLC16A3SLC16A1

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
EP-2582688-B1 ANTHRANILIC ACID DIAMIDE DERIVATIVES BAYER IP GMBH (DE) 2015-10-07 EP disclosed
EP-2582688-A1 ANTHRANILIC ACID DIAMIDE DERIVATIVES Bayer Intellectual Property GmbH (DE) 2013-04-24 EP disclosed
WO-2011157654-A1 ANTHRANILIC ACID DIAMIDE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2011-12-22 WO disclosed