SCHEMBL3407265

SCHEMBL3407265

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
LMNA P02545 2/20 0.65
MEN1 O00255 1/20 0.65
ALDH1A1 P00352 1/20 0.65
HTT P42858 1/20 0.65
KMT2A Q03164 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
TP53 P04637 4/20 0.59
PTGS2 P35354 4/20 0.55
RIPK1 Q13546 1/20 0.53
NPC1 O15118 1/20 0.53
ALOX15 P16050 1/20 0.53
RAB9A P51151 1/20 0.53
MET P08581 3/20 0.51
PTGS1 P23219 1/20 0.51
CCR1 P32246 1/20 0.50
SMURF1 Q9HCE7 1/20 0.50
KDR P35968 1/20 0.48
FADS1 O60427 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
SCHEMBL3403988 0.90 SMN1; SMN2 (0.64) MAPTSMN1; SMN2LMNAMEN1ALDH1A1
SCHEMBL3403675 0.90 MAPT (0.78) MAPTSMN1; SMN2LMNAMEN1ALDH1A1
SCHEMBL3400890 0.90 SMN1; SMN2 (0.65) MAPTSMN1; SMN2LMNAMEN1ALDH1A1
SCHEMBL3407140 0.89 MAPT (0.60) MAPTSMN1; SMN2LMNAMEN1ALDH1A1
SCHEMBL8001635 0.87 MAPT (0.58) MAPTSMN1; SMN2LMNAMEN1ALDH1A1
SCHEMBL3404049 0.87 MAPT (0.55) MAPTSMN1; SMN2LMNAMEN1ALDH1A1
SCHEMBL3406096 0.87 MAPT (0.62) MAPTSMN1; SMN2LMNAMEN1ALDH1A1
SCHEMBL7997003 0.86 TP53 (0.55) MAPTSMN1; SMN2LMNAMEN1ALDH1A1
SCHEMBL3405841 0.85 MEN1 (0.53) MAPTSMN1; SMN2LMNAMEN1ALDH1A1
SCHEMBL7986777 0.85 MEN1 (0.60) MAPTSMN1; SMN2LMNAMEN1ALDH1A1

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