SCHEMBL2829127

SCHEMBL2829127

COCc1csc(NC(=O)Oc2nc(C)sc2Nc2cccnc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.46
MAPT P10636 6/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
CASP7 P55210 1/20 0.42
TRPV4 Q9HBA0 1/20 0.42
PIK3CG P48736 2/20 0.42
MAPK1 P28482 2/20 0.40
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
ALDH1A1 P00352 2/20 0.38
LMNA P02545 2/20 0.38
ALOX12 P18054 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HTT P42858 1/20 0.37
PIK3CA P42336 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
SCHEMBL2827578 0.88 GRM5 (0.50) GRM5MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL2827912 0.84 GRM5 (0.44) GRM5MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL2832249 0.83 MAPT (0.37) MAPTSMN1; SMN2KDM4EMAPK1KMT2A
SCHEMBL2832741 0.83 GRM5 (0.44) GRM5MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL2828125 0.82 GRM5 (0.50) GRM5MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL2827389 0.81 GRM5 (0.51) GRM5MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL2825827 0.80 GRM5 (0.47) GRM5MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL2826008 0.78 GRM5 (0.57) GRM5MAPTSMN1; SMN2KDM4EHPGD
SCHEMBL2827009 0.78 GRM5 (0.53) GRM5MAPTSMN1; SMN2HPGDMAPK1
SCHEMBL2830049 0.77 GRM5 (0.60) GRM5MAPTSMN1; SMN2HPGDPIK3CG

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