SCHEMBL3404049

SCHEMBL3404049

Cc1c(C(=O)Nc2cccc(Cl)c2)nnn1-c1cc(F)ccc1F

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
ALDH1A1 P00352 1/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
SMURF1 Q9HCE7 3/20 0.52
TP53 P04637 2/20 0.51
NR1I2 O75469 7/20 0.50
RIPK1 Q13546 2/20 0.48
FADS1 O60427 1/20 0.48
RAB9A P51151 1/20 0.46

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
SCHEMBL3407283 0.90 SMURF1 (0.59) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3407265 0.87 MAPT (0.65) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3403988 0.86 SMN1; SMN2 (0.64) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3405064 0.84 MEN1 (0.60) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3405841 0.83 MEN1 (0.53) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3407140 0.83 MAPT (0.60) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8003697 0.82 SMN1; SMN2 (0.58) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3403675 0.81 MAPT (0.78) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL3400866 0.80 MAPT (0.58) MAPTSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL8001635 0.79 MAPT (0.58) MAPTSMN1; SMN2MEN1KMT2AALDH1A1

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