SCHEMBL3400890

SCHEMBL3400890

Cc1c(C(=O)Nc2cccc(F)c2)nnn1-c1ccc(F)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.65
TP53 P04637 4/20 0.62
PTGS2 P35354 2/20 0.59
MAPT P10636 5/20 0.58
RIPK1 Q13546 1/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 4/20 0.56
LMNA P02545 3/20 0.55
ALOX15 P16050 1/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
MET P08581 3/20 0.54
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
KDR P35968 1/20 0.51
CCNC P24863 1/20 0.49
CDK8 P49336 1/20 0.49
NR1I2 O75469 1/20 0.49

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
SCHEMBL7997749 0.93 RIPK1 (0.65) SMN1; SMN2TP53MAPTRIPK1NPC1
SCHEMBL3407265 0.90 MAPT (0.65) SMN1; SMN2TP53PTGS2MAPTRIPK1
SCHEMBL3405228 0.87 SMN1; SMN2 (0.58) SMN1; SMN2TP53PTGS2MAPTNPC1
SCHEMBL3400866 0.87 MAPT (0.58) SMN1; SMN2TP53MAPTRIPK1NPC1
SCHEMBL3403988 0.84 SMN1; SMN2 (0.64) SMN1; SMN2TP53MAPTRIPK1NPC1
SCHEMBL3405011 0.84 MET (0.59) SMN1; SMN2TP53PTGS2MAPTNPC1
SCHEMBL7997747 0.81 TP53 (0.68) SMN1; SMN2TP53MAPTNPC1RAB9A
SCHEMBL3405207 0.80 GRM5 (0.67) SMN1; SMN2TP53PTGS2MAPTRIPK1
SCHEMBL3402289 0.80 GRM5 (0.67) SMN1; SMN2TP53PTGS2MAPTNPC1
SCHEMBL7997003 0.80 TP53 (0.55) SMN1; SMN2TP53PTGS2MAPTRIPK1

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