SCHEMBL2731473

SCHEMBL2731473

CNc1cnn(-c2cncc(F)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.38
RIPK2 O43353 3/20 0.35
ELOVL1 Q9BW60 10/20 0.33
MAPK10 P53779 3/20 0.32
MAPK8 P45983 2/20 0.32
NPC1 O15118 1/20 0.32
KDM1A O60341 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL19249155 0.79 NPC1 (0.50) MAPK10MAPK8NPC1
SCHEMBL2689196 0.79 ELOVL1 (0.41) ELOVL1MAPK10MAPK8KDM1AMAOA
SCHEMBL15813925 0.78 NAMPT (0.43) MAPK10MAPK8NPC1KDM1AMAOA
SCHEMBL2690978 0.78 RIPK2 (0.45) RIPK2ELOVL1MAPK10MAPK8NPC1
SCHEMBL22725143 0.78 IRAK4 (0.35) RIPK2
SCHEMBL4975965 0.75 HDAC3 (0.39) ELOVL1MAPK10MAPK8KDM1AMAOA
SCHEMBL2689806 0.72 CYP2A6 (0.49) RIPK2
SCHEMBL2689757 0.72 SLC34A1 (0.37) CYP11B2ELOVL1
SCHEMBL18586076 0.71 CYP11B2 (0.38) CYP11B2ELOVL1NPC1
SCHEMBL2690812 0.71 LRRK2 (0.37) CYP11B2ELOVL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2840898-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2015-03-04 EP disclosed
WO-2013162716-A9 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2014-11-06 WO disclosed
WO-2013162716-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2013-10-31 WO disclosed
EP-2635278-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO Dow AgroSciences LLC (US) 2013-09-11 EP disclosed
WO-2012061290-A2 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2012-05-10 WO disclosed