SCHEMBL3405207

SCHEMBL3405207

Cc1cccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 12/20 0.67
TP53 P04637 4/20 0.61
PTGS2 P35354 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.55
NPC1 O15118 1/20 0.52
GBA1 P04062 1/20 0.52
RAB9A P51151 1/20 0.52
MAPT P10636 2/20 0.52
RIPK1 Q13546 1/20 0.51
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 1/20 0.49
USP2 O75604 1/20 0.49
ALDH1A1 P00352 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
CASP1 P29466 1/20 0.49
PPARG P37231 1/20 0.49
KMT2A Q03164 1/20 0.49
NCOA2 Q15596 1/20 0.49
NCOA1 Q15788 1/20 0.49

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
SCHEMBL3402289 0.91 GRM5 (0.67) GRM5TP53PTGS2SMN1; SMN2NPC1
SCHEMBL30387819 0.91 GRM5 (0.58) GRM5TP53SMN1; SMN2GBA1MAPT
SCHEMBL20604169 0.91 GRM5 (0.58) GRM5TP53SMN1; SMN2GBA1MAPT
SCHEMBL3401188 0.89 TP53 (0.59) GRM5TP53PTGS2SMN1; SMN2MAPT
SCHEMBL8000300 0.87 GRM5 (0.69) GRM5TP53PTGS2SMN1; SMN2NPC1
SCHEMBL7987917 0.85 TP53 (0.57) GRM5TP53PTGS2SMN1; SMN2MAPT
SCHEMBL3402699 0.83 TP53 (0.57) GRM5TP53PTGS2SMN1; SMN2MAPT
SCHEMBL7996185 0.81 GRM5 (0.61) GRM5NPC1RAB9AMAPTRIPK1
SCHEMBL3435510 0.81 TP53 (0.57) GRM5TP53PTGS2SMN1; SMN2NPC1
SCHEMBL24695901 0.80 GSK3B (0.72) GRM5NPC1RAB9ARIPK1ALDH1A1

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