SCHEMBL2830880

SCHEMBL2830880

Cc1nc(OC(=O)Nc2cc(Cl)ccc2F)c(Nc2cccnc2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.47
CYP11B2 P19099 2/20 0.44
GRIK1 P39086 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
LMNA P02545 3/20 0.41
TP53 P04637 2/20 0.41
MAPT P10636 2/20 0.41
KCNMA1 Q12791 1/20 0.41
HTT P42858 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.39
PPARG P37231 1/20 0.39
RAB9A P51151 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
ALPL P05186 1/20 0.39

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
SCHEMBL2826392 0.93 GRM5 (0.48) GRM5CYP11B2KMT2AMEN1LMNA
SCHEMBL2826781 0.87 GRM5 (0.52) GRM5CYP11B2KMT2AMEN1LMNA
SCHEMBL2830196 0.85 GRM5 (0.47) GRM5KMT2ALMNAMAPTHTT
SCHEMBL2827009 0.82 GRM5 (0.53) GRM5KMT2ALMNATP53MAPT
SCHEMBL2827196 0.82 GRM5 (0.58) GRM5CYP11B2KMT2AMEN1LMNA
SCHEMBL2826008 0.81 GRM5 (0.57) GRM5KMT2AMEN1LMNATP53
SCHEMBL2830236 0.79 GRM5 (0.71) GRM5CYP11B2KDM4E
SCHEMBL2826714 0.79 GRM5 (0.70) GRM5MAPT
SCHEMBL2828398 0.78 GRM5 (0.47) GRM5KMT2AMEN1LMNAMAPT
SCHEMBL2824785 0.78 GRM5 (0.70) GRM5KMT2AMEN1RAB9A

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