SCHEMBL45281

SCHEMBL45281

O=C(O)Oc1cc(C(=O)Cn2nnc(C(F)(F)F)n2)nn1-c1ncccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.35
TRPV1 Q8NER1 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SLC16A3 O15427 4/20 0.31
SLC16A1 P53985 4/20 0.31
ALDH1A1 P00352 1/20 0.31
MCTS1 Q9ULC4 2/20 0.31
DHODH Q02127 1/20 0.30
HPGD P15428 1/20 0.30
MALT1 Q9UDY8 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
SCHEMBL339565 0.87 TRPA1 (0.33) TRPA1TRPV1MEN1KMT2ASLC16A3
SCHEMBL9995992 0.85 TRPA1 (0.36) TRPA1TRPV1SLC16A3SLC16A1MCTS1
SCHEMBL45189 0.82 TRPA1 (0.34) TRPA1TRPV1SLC16A3SLC16A1MCTS1
SCHEMBL45069 0.82 RAB9A (0.39) ALDH1A1HPGD
SCHEMBL9995946 0.78 TRPA1 (0.35) TRPA1TRPV1SLC16A3SLC16A1MCTS1
SCHEMBL2490874 0.77 SLC16A3 (0.34) TRPA1TRPV1SLC16A3SLC16A1MCTS1
SCHEMBL44772 0.77 TRPA1 (0.35) TRPA1TRPV1SLC16A3SLC16A1DHODH
SCHEMBL16014860 0.76 KDM4E (0.44) TRPA1TRPV1MEN1KMT2AALDH1A1
SCHEMBL1697035 0.75 HPGD (0.35) TRPA1TRPV1MEN1KMT2AALDH1A1
SCHEMBL44846 0.74 TRPV1 (0.50) TRPA1TRPV1

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