SCHEMBL44926

SCHEMBL44926

O=C(O)Oc1cc([N+](=O)[O-])nn1-c1ncccc1Cl

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.36
HTT P42858 4/20 0.36
LMNA P02545 4/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
RXFP1 Q9HBX9 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
KDM4E B2RXH2 4/20 0.35
TDP1 Q9NUW8 4/20 0.35
MAPT P10636 3/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
PKM P14618 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HSP90AA1 P07900 2/20 0.35
OPRK1 P41145 1/20 0.35
ALOX12 P18054 2/20 0.35
JMJD7 P0C870 1/20 0.34
MALT1 Q9UDY8 2/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL44925 0.82 HTT (0.38) HTTLMNAMEN1KMT2ARXFP1
SCHEMBL16014859 0.81 TRPA1 (0.41) TRPA1MALT1TRPV1
SCHEMBL16014804 0.79 MALT1 (0.39) TRPA1MALT1TRPV1
SCHEMBL15361834 0.79 SLC16A3 (0.39) TRPA1MALT1TRPV1
SCHEMBL44870 0.78 LMNA (0.40) HTTLMNAMEN1KMT2ARXFP1
SCHEMBL16014572 0.78 TRPA1 (0.37) TRPA1ALDH1A1MALT1TRPV1
SCHEMBL16014772 0.78 SLC16A3 (0.38) TRPA1MALT1TRPV1
SCHEMBL16014860 0.78 KDM4E (0.44) TRPA1MEN1KMT2AKDM4EMAPT
SCHEMBL16014506 0.77 NPC1 (0.39) TRPA1LMNAMEN1KMT2AKDM4E
SCHEMBL16014742 0.76 TRPA1 (0.36) TRPA1SMN1; SMN2MAPTMALT1TRPV1

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