SCHEMBL2829262

SCHEMBL2829262

Cc1nc(NC(=O)Oc2ncsc2Nc2cccnc2)cs1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.44
NAMPT P43490 4/20 0.44
PIK3CG P48736 2/20 0.41
LMNA P02545 1/20 0.39
METAP2 P50579 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TRPV4 Q9HBA0 1/20 0.39
PIK3CA P42336 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
SCHEMBL2827389 0.88 GRM5 (0.51) GRM5NAMPTPIK3CGLMNAKDM4E
SCHEMBL2825843 0.86 GRM5 (0.58) GRM5NAMPTSMN1; SMN2
SCHEMBL2824997 0.84 GRM5 (0.48) GRM5NAMPTPIK3CGKDM4EMAPT
SCHEMBL15664555 0.83 GRM5 (0.50) GRM5NAMPTPIK3CGLMNAMETAP2
SCHEMBL2829501 0.82 GRM5 (0.45) GRM5NAMPTLMNASMN1; SMN2
SCHEMBL2828918 0.82 GRM5 (0.44) GRM5NAMPTPIK3CGLMNASMN1; SMN2
SCHEMBL2831112 0.81 IRAK4 (0.46) GRM5NAMPTLMNAMAPTHPGD
SCHEMBL2832364 0.81 GRM5 (0.55) GRM5NAMPTMAPTPIK3CA
SCHEMBL2829743 0.81 NPC1 (0.42) GRM5MAPTCASP7SMN1; SMN2
SCHEMBL2828432 0.79 GRM5 (0.42) GRM5NAMPT

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