SCHEMBL2829970

SCHEMBL2829970

CCN(CC)S(=O)(=O)c1cccc(Nc2sc(C)nc2OC(=O)Nc2ccc(F)cn2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.46
SMN1; SMN2 Q16637 7/20 0.44
MAPT P10636 7/20 0.44
MEN1 O00255 5/20 0.44
KMT2A Q03164 5/20 0.44
LMNA P02545 5/20 0.43
TSHR P16473 2/20 0.43
GAA P10253 4/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 3/20 0.40
XBP1 P17861 1/20 0.40
HTT P42858 1/20 0.40
PAX8 Q06710 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.40
MAPK1 P28482 2/20 0.39
HSP90AA1 P07900 1/20 0.39
RAB9A P51151 1/20 0.39
CDK1 P06493 1/20 0.38
CDK2 P24941 1/20 0.38

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
SCHEMBL2828925 0.88 GRM5 (0.49) GRM5SIRT2RAB9ACDK1CDK2
SCHEMBL2828459 0.88 GRM5 (0.46) GRM5SMN1; SMN2MAPTLMNATSHR
SCHEMBL2829947 0.88 GRM5 (0.49) GRM5CDK1CDK2
SCHEMBL2830981 0.81 GRM5 (0.50) GRM5MEN1KMT2ARAB9APIK3CA
SCHEMBL2829440 0.79 GRM5 (0.51) GRM5MAPK1
SCHEMBL2830236 0.79 GRM5 (0.71) GRM5PIK3CAPIK3CG
SCHEMBL2832204 0.78 GRM5 (0.56) GRM5
SCHEMBL2826336 0.77 GRM5 (0.70) GRM5SMN1; SMN2RAB9A
SCHEMBL2832138 0.77 GRM5 (0.56) GRM5SMN1; SMN2RAB9A
SCHEMBL2829041 0.75 GRM5 (0.54) GRM5PIK3CA

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