SCHEMBL2830980

SCHEMBL2830980

Cc1cc(NC(=O)Oc2nc(C)sc2Nc2cccc(C(F)(F)F)c2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.48
KMT2A Q03164 5/20 0.45
SORT1 Q99523 1/20 0.44
MEN1 O00255 4/20 0.44
MAPT P10636 4/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HSP90AA1 P07900 1/20 0.44
PHGDH O43175 1/20 0.42
BRAF P15056 1/20 0.42
KDR P35968 1/20 0.42
MAPK14 Q16539 1/20 0.42
TNNI3K Q59H18 1/20 0.42
LMNA P02545 2/20 0.42
THRB P10828 1/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2828392 0.88 GRM5 (0.52) GRM5KMT2ASORT1MEN1MAPT
SCHEMBL2829130 0.88 GRM5 (0.51) GRM5KMT2AMEN1MAPTL3MBTL1
SCHEMBL2826236 0.84 GRM5 (0.49) GRM5LCKSYKBMX
SCHEMBL2826783 0.84 GRM5 (0.49) GRM5MAPTKDRMAPK14LMNA
SCHEMBL2826248 0.83 SMARCA2 (0.56) GRM5SORT1
SCHEMBL2829701 0.83 GRM5 (0.48) GRM5KMT2AMEN1MAPTL3MBTL1
SCHEMBL2833178 0.83 GRM5 (0.48) GRM5SORT1SYK
SCHEMBL2826714 0.83 GRM5 (0.70) GRM5MAPT
SCHEMBL2832333 0.83 GRM5 (0.48) GRM5MAPTKDRLMNASYK
SCHEMBL2829461 0.83 GRM5 (0.48) GRM5KMT2AMEN1KDR

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