SCHEMBL7997749

SCHEMBL7997749

Cc1c(C(=O)Nc2cccc(F)c2)nnn1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.65
TP53 P04637 4/20 0.65
NPC1 O15118 6/20 0.65
RAB9A P51151 6/20 0.65
SMN1; SMN2 Q16637 3/20 0.62
MAPT P10636 5/20 0.60
LMNA P02545 4/20 0.60
HTT P42858 2/20 0.60
ALDH1A1 P00352 2/20 0.60
L3MBTL1 Q9Y468 2/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
MET P08581 1/20 0.54
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
ALOX15 P16050 1/20 0.53
HPGD P15428 1/20 0.52
NR1I2 O75469 1/20 0.52
CCNC P24863 1/20 0.52
CDK8 P49336 1/20 0.52

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
SCHEMBL3400890 0.93 SMN1; SMN2 (0.65) RIPK1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL7997747 0.88 TP53 (0.68) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3403988 0.86 SMN1; SMN2 (0.64) RIPK1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL3403675 0.86 MAPT (0.78) RIPK1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL8003176 0.85 SMN1; SMN2 (0.74) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL3400866 0.85 MAPT (0.58) RIPK1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL3407265 0.83 MAPT (0.65) RIPK1TP53NPC1RAB9ASMN1; SMN2
SCHEMBL3405228 0.80 SMN1; SMN2 (0.58) TP53NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL23391769 0.79 RIPK1 (1.00) RIPK1
SCHEMBL26732894 0.77 KDM4E (0.71) TP53NPC1RAB9ASMN1; SMN2MAPT

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