SCHEMBL2825873

SCHEMBL2825873

Cc1cccc(NC(=O)Oc2nc(C3CC3)sc2Nc2cccnc2)n1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.55
RAB9A P51151 2/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
GBA1 P04062 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL2830083 0.96 GRM5 (0.54) GRM5RAB9AJAK2JAK3MEN1
SCHEMBL2824785 0.87 GRM5 (0.70) GRM5RAB9AJAK2JAK3MEN1
SCHEMBL2829770 0.83 GRM5 (0.57) GRM5RAB9AJAK2JAK3MEN1
SCHEMBL2829704 0.83 GRM5 (0.57) GRM5RAB9AJAK2JAK3MEN1
SCHEMBL2826351 0.82 GRM5 (0.55) GRM5
SCHEMBL2827399 0.82 GRM5 (0.55) GRM5RAB9AJAK2JAK3MEN1
SCHEMBL2825843 0.81 GRM5 (0.58) GRM5RAB9AMEN1NPC1GBA1
SCHEMBL2827039 0.80 GRM5 (0.56) GRM5RAB9AJAK2JAK3MEN1
SCHEMBL2826008 0.78 GRM5 (0.57) GRM5JAK2JAK3MEN1KMT2A
SCHEMBL2826273 0.77 GRM5 (0.56) GRM5RAB9AJAK2JAK3NPC1

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
EP-1844044-B1 THIAZOLE-4-CARBOXAMIDE DERIVATIVES AS MGLUR5 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-07-21 EP claimed