SCHEMBL1679713

SCHEMBL1679713

O=C(NO)Oc1cccc(Br)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.40
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
GRM5 P41594 1/20 0.36
CHRNB2 P17787 2/20 0.34
CHRNA4 P43681 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CYP1A2 P05177 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
KDM1A O60341 1/20 0.32
HSP90AA1 P07900 1/20 0.32
MAPK8 P45983 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
SCHEMBL1400662 0.86 ALDH1A1 (0.46) HTR7ALDH1A1HPGDGRM5CHRNB2
SCHEMBL27663372 0.82 HTR7 (0.39) HTR7ALDH1A1HPGDGRM5CHRNB2
SCHEMBL248107 0.81 HTR7 (0.42) HTR7ALDH1A1HPGDGRM5CHRNB2
SCHEMBL8772213 0.79 HTR7 (0.41) HTR7ALDH1A1HPGDGRM5CHRNB2
SCHEMBL5200121 0.79 MEN1 (0.44) HTR7ALDH1A1HPGDGRM5CHRNB2
SCHEMBL27585578 0.79 HTR7 (0.45) HTR7ALDH1A1HPGDGRM5CHRNB2
SCHEMBL1556100 0.75 HTR7 (0.49) HTR7ALDH1A1KMT2AMEN1NPC1
SCHEMBL27776087 0.75 HTR7 (0.49) HTR7ALDH1A1HPGDGRM5CHRNB2
SCHEMBL27770420 0.73 HTR7 (0.43) HTR7ALDH1A1HPGDGRM5CHRNB2
SCHEMBL28440224 0.72 NPC1 (0.41) ALDH1A1L3MBTL1MAPTGAACYP1A2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2583556-B1 Heterocyclic compounds as pest controllers BAYER CROPSCIENCE AG (DE) 2016-01-20 EP disclosed
EP-2591674-B1 Heterocyclic compounds as pest controllers BAYER CROPSCIENCE AG (DE) 2016-01-13 EP disclosed
EP-2591674-A1 Heterocyclic compounds as pest controllers Bayer CropScience AG (DE) 2013-05-15 EP disclosed
EP-2586311-A1 Heterocyclic compounds as pest controllers Bayer CropScience AG (DE) 2013-05-01 EP disclosed
EP-2586312-A1 Heterocyclic compounds as pest controllers Bayer CropScience AG (DE) 2013-05-01 EP disclosed
EP-2583557-A1 Heterocyclic compounds as pest controllers Bayer CropScience AG (DE) 2013-04-24 EP disclosed
EP-2583556-A1 Heterocyclic compounds as pest controllers Bayer CropScience AG (DE) 2013-04-24 EP disclosed
EP-2309857-A2 HETEROCYCLIC COMPOUNDS USED AS PESTICIDES Bayer CropScience AG (DE) 2011-04-20 EP disclosed
WO-2010006713-A2 HETEROCYCLIC COMPOUNDS USED AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2010-01-21 WO disclosed