SCHEMBL3405841

SCHEMBL3405841

Cc1c(C(=O)Nc2cccc(Cl)c2)nnn1-c1ccc(F)cn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
MAPT P10636 5/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
LMNA P02545 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HTT P42858 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
RIPK1 Q13546 1/20 0.45
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
TP53 P04637 2/20 0.45
ALOX15 P16050 1/20 0.45
GRM4 Q14833 2/20 0.44
NR1I2 O75469 1/20 0.44
FADS1 O60427 1/20 0.44
HPGD P15428 1/20 0.43
HIF1A Q16665 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL3407265 0.85 MAPT (0.65) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL3404049 0.83 MAPT (0.55) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL3403988 0.82 SMN1; SMN2 (0.64) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL8001635 0.82 MAPT (0.58) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL3407283 0.80 SMURF1 (0.59) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL3403675 0.79 MAPT (0.78) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL3407140 0.79 MAPT (0.60) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL7986777 0.79 MEN1 (0.60) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL3405064 0.78 MEN1 (0.60) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL3406096 0.77 MAPT (0.62) MEN1KMT2AMAPTSMN1; SMN2LMNA

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