SCHEMBL2830196

SCHEMBL2830196

Cc1nc(OC(=O)Nc2cccc(Cl)c2F)c(Nc2cccnc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.47
LCK P06239 1/20 0.42
HTT P42858 2/20 0.40
SGMS2 Q8NHU3 1/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
JAK2 O60674 1/20 0.38
JAK3 P52333 1/20 0.38
RECQL P46063 1/20 0.38
PPARG P37231 3/20 0.37
NCOA2 Q15596 3/20 0.37
NCOA1 Q15788 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 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
SCHEMBL2830880 0.85 GRM5 (0.47) GRM5HTTKMT2ARAB9ALMNA
SCHEMBL2826392 0.83 GRM5 (0.48) GRM5HTTKMT2ARAB9ANPC1
SCHEMBL2826008 0.83 GRM5 (0.57) GRM5LCKHTTKMT2ASMN1; SMN2
SCHEMBL2826781 0.83 GRM5 (0.52) GRM5KMT2ANPC1SMN1; SMN2LMNA
SCHEMBL2827009 0.82 GRM5 (0.53) GRM5HTTKMT2ARAB9ANPC1
SCHEMBL2827196 0.80 GRM5 (0.58) GRM5LCKKMT2ANPC1LMNA
SCHEMBL2824785 0.80 GRM5 (0.70) GRM5KMT2ARAB9ANPC1JAK2
SCHEMBL2830236 0.79 GRM5 (0.71) GRM5SGMS2JAK2JAK3KDM4E
SCHEMBL2826273 0.78 GRM5 (0.56) GRM5LCKHTTRAB9ANPC1
SCHEMBL2830049 0.78 GRM5 (0.60) GRM5HTTSMN1; SMN2LMNAJAK2

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