SCHEMBL2832391

SCHEMBL2832391

COCc1cccc(NC(=O)Oc2nc(C)sc2Nc2cncc(F)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.38
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SIRT2 Q8IXJ6 4/20 0.36
SIRT3 Q9NTG7 4/20 0.36
SIRT1 Q96EB6 3/20 0.36
MET P08581 1/20 0.36
KDM1A O60341 1/20 0.35
MAOB P27338 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
MGLL Q99685 1/20 0.35
FAAH O00519 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
BRAF P15056 1/20 0.34

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
SCHEMBL2824749 0.91 MET (0.42) GRM5MAPTL3MBTL1METKDM1A
SCHEMBL2829461 0.82 GRM5 (0.48) GRM5SIRT2KDM1AMAOBRCOR1
SCHEMBL2831334 0.81 GRM5 (0.54) GRM5CYP3A4
SCHEMBL2829033 0.80 GRM5 (0.44) GRM5CYP3A4
SCHEMBL2830226 0.79 MET (0.39) MAPTL3MBTL1METBRAF
SCHEMBL2832204 0.78 GRM5 (0.56) GRM5CYP3A4
SCHEMBL2828971 0.77 NPC1 (0.37) GRM5KDM1AMAOBRCOR1ALDH1A1
SCHEMBL2830056 0.77 GRM5 (0.39) GRM5MAPK1
SCHEMBL2831104 0.76 GRM5 (0.37) GRM5L3MBTL1
SCHEMBL2829064 0.76 GRM5 (0.41) GRM5MAPTCYP3A4

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