SCHEMBL7997003

SCHEMBL7997003

Cc1c(C(=O)Nc2cncc(Cl)c2)nnn1-c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.55
SMN1; SMN2 Q16637 3/20 0.55
MAPT P10636 3/20 0.54
PTGS2 P35354 4/20 0.54
RIPK1 Q13546 1/20 0.53
MET P08581 5/20 0.49
LMNA P02545 2/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HTT P42858 1/20 0.48
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SMURF1 Q9HCE7 2/20 0.47
NPC1 O15118 1/20 0.47
ALOX15 P16050 1/20 0.47
RAB9A P51151 1/20 0.47
HSP90AA1 P07900 1/20 0.46
CCR1 P32246 1/20 0.45

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 0.86 MAPT (0.65) TP53SMN1; SMN2MAPTPTGS2RIPK1
SCHEMBL17923441 0.82 RIPK1 (0.44) TP53SMN1; SMN2MAPTPTGS2RIPK1
SCHEMBL3400890 0.80 SMN1; SMN2 (0.65) TP53SMN1; SMN2MAPTPTGS2RIPK1
SCHEMBL7987917 0.78 TP53 (0.57) TP53SMN1; SMN2MAPTPTGS2MET
SCHEMBL3405011 0.78 MET (0.59) TP53SMN1; SMN2MAPTPTGS2MET
SCHEMBL3403988 0.76 SMN1; SMN2 (0.64) TP53SMN1; SMN2MAPTRIPK1LMNA
SCHEMBL3398194 0.76 TP53 (0.55) TP53SMN1; SMN2MAPTPTGS2MET
SCHEMBL13754541 0.76 PTGS2 (0.71) TP53SMN1; SMN2MAPTPTGS2MET
SCHEMBL8001635 0.76 MAPT (0.58) TP53SMN1; SMN2MAPTRIPK1MET
SCHEMBL3407140 0.75 MAPT (0.60) TP53SMN1; SMN2MAPTRIPK1MET

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009115486-A1 TRIAZOLE AMIDE DERIVATIVES FOR USE IN THERAPY GLAXO GROUP LIMITED (GB) 2009-09-24 WO disclosed