SCHEMBL3400866

SCHEMBL3400866

Cc1c(C(=O)Nc2cccc(F)c2)nnn1-c1ccc(F)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.58
TP53 P04637 3/20 0.58
MET P08581 3/20 0.57
POLB P06746 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
LMNA P02545 3/20 0.52
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SMURF1 Q9HCE7 1/20 0.50
THRB P10828 1/20 0.50
RIPK1 Q13546 1/20 0.48
GRM5 P41594 1/20 0.48
ALOX15 P16050 1/20 0.48
CCNC P24863 1/20 0.47
CDK8 P49336 1/20 0.47

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
SCHEMBL3407140 0.93 MAPT (0.60) MAPTTP53METPOLBSMN1; SMN2
SCHEMBL3403988 0.87 SMN1; SMN2 (0.64) MAPTTP53POLBSMN1; SMN2NPC1
SCHEMBL3400890 0.87 SMN1; SMN2 (0.65) MAPTTP53METSMN1; SMN2NPC1
SCHEMBL7997749 0.85 RIPK1 (0.65) MAPTTP53METSMN1; SMN2NPC1
SCHEMBL3401287 0.84 MET (0.63) MAPTTP53METPOLBSMN1; SMN2
SCHEMBL3404285 0.84 MET (0.63) MAPTTP53METPOLBSMN1; SMN2
SCHEMBL3407265 0.84 MAPT (0.65) MAPTTP53METSMN1; SMN2NPC1
SCHEMBL7986940 0.80 MAPT (0.55) MAPTTP53METPOLBSMN1; SMN2
SCHEMBL3404049 0.80 MAPT (0.55) MAPTTP53SMN1; SMN2RAB9ALMNA
SCHEMBL3406096 0.80 MAPT (0.62) MAPTTP53SMN1; SMN2NPC1RAB9A

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-2252599-A1 TRIAZOLE AMIDE DERIVATIVES FOR USE IN THERAPY Glaxo Group Limited (GB) 2010-11-24 EP claimed
WO-2009115486-A1 TRIAZOLE AMIDE DERIVATIVES FOR USE IN THERAPY GLAXO GROUP LIMITED (GB) 2009-09-24 WO claimed
EP-2252599-A1 TRIAZOLE AMIDE DERIVATIVES FOR USE IN THERAPY Glaxo Group Limited (GB) 2010-11-24 EP disclosed
WO-2009115486-A1 TRIAZOLE AMIDE DERIVATIVES FOR USE IN THERAPY GLAXO GROUP LIMITED (GB) 2009-09-24 WO disclosed
WO-2009115486-A1 TRIAZOLE AMIDE DERIVATIVES FOR USE IN THERAPY GLAXO GROUP LIMITED (GB) 2009-09-24 WO disclosed