SCHEMBL3433965

SCHEMBL3433965

Cc1c(C(=O)Nc2nccc(Cl)n2)nnn1-c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.55
PTGS2 P35354 6/20 0.54
MET P08581 5/20 0.51
GRM5 P41594 2/20 0.49
MAPT P10636 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
SMURF1 Q9HCE7 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
ALOX15 P16050 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL3402699 0.82 TP53 (0.57) TP53PTGS2METGRM5MAPT
SCHEMBL3401188 0.81 TP53 (0.59) TP53PTGS2GRM5MAPTSMN1; SMN2
SCHEMBL3398194 0.78 TP53 (0.55) TP53PTGS2METGRM5MAPT
SCHEMBL3405011 0.78 MET (0.59) TP53PTGS2METGRM5MAPT
SCHEMBL13754541 0.76 PTGS2 (0.71) TP53PTGS2METMAPTSMN1; SMN2
SCHEMBL3407265 0.75 MAPT (0.65) TP53PTGS2METMAPTSMN1; SMN2
SCHEMBL3405207 0.74 GRM5 (0.67) TP53PTGS2GRM5MAPTSMN1; SMN2
SCHEMBL3402289 0.74 GRM5 (0.67) TP53PTGS2METGRM5MAPT
SCHEMBL7997003 0.74 TP53 (0.55) TP53PTGS2METMAPTSMN1; SMN2
SCHEMBL3435510 0.73 TP53 (0.57) TP53PTGS2METGRM5MAPT

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 3 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 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