SCHEMBL1274465

SCHEMBL1274465

Clc1cc(I)ccn1.Fc1cc(I)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.38
MAPK13 O15264 2/20 0.38
MAPK12 P53778 2/20 0.38
MAPK11 Q15759 2/20 0.38
LOXL2 Q9Y4K0 2/20 0.38
RECQL P46063 1/20 0.38
LOX P28300 1/20 0.38
LOXL3 P58215 1/20 0.38
IDO1 P14902 2/20 0.36
ADORA2A P29274 2/20 0.36
ADORA2B P29275 1/20 0.36
TRPA1 O75762 1/20 0.35
SMARCA2 P51531 4/20 0.35
SMARCA4 P51532 3/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MKNK2 Q9HBH9 1/20 0.35
ADORA1 P30542 1/20 0.34
MAP4K4 O95819 1/20 0.33
MINK1 Q8N4C8 1/20 0.33
TNIK Q9UKE5 1/20 0.33

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
SCHEMBL29762475 0.87
SCHEMBL256099 0.87
SCHEMBL29741215 0.87
SCHEMBL45635 0.87
SCHEMBL1273717 0.75 LOXL2 (0.41) MAPK14MAPK13MAPK12MAPK11LOXL2
SCHEMBL18161083 0.75 IDO1 (0.46) MAPK14MAPK13MAPK12MAPK11LOXL2
SCHEMBL1275114 0.72 LOXL2 (0.38) MAPK14MAPK13MAPK12MAPK11LOXL2
SCHEMBL2244494 0.69
SCHEMBL45510 0.69
SCHEMBL29643735 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2462124-A2 MESOIONIC PESTICIDES E. I. du Pont de Nemours and Company (US) 2012-06-13 EP disclosed
WO-2011017342-A2 MESOIONIC PESTICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-02-10 WO disclosed