SCHEMBL7454077

SCHEMBL7454077

Cc1cc(NC(=O)c2nnn3c2CSc2cc(F)ccc2-3)ccn1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.58
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 1/20 0.39
MET P08581 2/20 0.38
SORT1 Q99523 3/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B3 P37058 1/20 0.36
GRM1 Q13255 1/20 0.36
GRM4 Q14833 1/20 0.36
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36

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
SCHEMBL7458646 0.90 GRM5 (0.73) GRM5MAPTSMN1; SMN2NPC1LMNA
SCHEMBL7458429 0.89 GRM5 (0.61) GRM5MAPTSORT1MEN1KMT2A
SCHEMBL7449344 0.87 GRM5 (0.54) GRM5MAPTSMN1; SMN2NPC1LMNA
SCHEMBL7458050 0.83 GRM5 (0.48) GRM5SORT1MEN1KMT2AHSD17B3
SCHEMBL7453711 0.83 GRM5 (0.58) GRM5SMN1; SMN2NPC1LMNARAB9A
SCHEMBL7459153 0.80 GRM5 (0.72) GRM5MAPTMEN1KMT2AHSD17B3
SCHEMBL7454043 0.77 GRM5 (0.71) GRM5MAPTNPC1RAB9AMET
SCHEMBL7454592 0.77 GRM5 (0.68) GRM5MAPTSMN1; SMN2NPC1LMNA
SCHEMBL7453223 0.76 GABRG2 (0.45) SMN1; SMN2LMNATP53MEN1KMT2A
SCHEMBL3405011 0.75 MET (0.59) GRM5MAPTSMN1; SMN2NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011151361-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-12-08 WO disclosed
WO-2011151361-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-12-08 WO disclosed