SCHEMBL4349665

SCHEMBL4349665

O=C(O)Oc1cc(Cn2nc(C(F)(F)F)cc2C(F)(F)F)nn1-c1ncccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
TRPA1 O75762 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
SLC16A3 O15427 8/20 0.34
SLC16A1 P53985 7/20 0.34
MCTS1 Q9ULC4 5/20 0.34
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
OPRL1 P41146 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
SCHEMBL4346448 0.93 KDM4E (0.40) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL4343369 0.90 KDM4E (0.40) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL384545 0.86 KDM4E (0.42) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL16014860 0.84 KDM4E (0.44) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL385572 0.84 KDM4E (0.44) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL384207 0.83 KDM4E (0.41) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL16530247 0.83 TRPA1 (0.35) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL21636814 0.81 KDM4E (0.45) KDM4EALDH1A1MEN1MAPTKMT2A
SCHEMBL16014772 0.80 SLC16A3 (0.38) TRPA1TRPV1SLC16A3SLC16A1MCTS1
SCHEMBL9995992 0.80 TRPA1 (0.36) TRPA1TRPV1SLC16A3SLC16A1MCTS1

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-2032556-B1 ANTHRANILIC ACID DIAMIDE DERIVATIVE WITH HETERO-AROMATIC AND HETERO-CYCLIC SUBSTITUENTS BAYER IP GMBH (DE) 2015-07-22 EP disclosed
EP-2032556-A1 ANTHRANILIC ACID DIAMIDE DERIVATIVE WITH HETERO-AROMATIC AND HETERO-CYCLIC SUBSTITUENTS Bayer CropScience AG (DE) 2009-03-11 EP disclosed
WO-2007144100-A1 ANTHRANILIC ACID DIAMIDE DERIVATIVE WITH HETERO-AROMATIC AND HETERO-CYCLIC SUBSTITUENTS BAYER CROPSCIENCE AG (DE) 2007-12-21 WO disclosed