SCHEMBL2829461

SCHEMBL2829461

COCc1cccc(Nc2sc(C)nc2OC(=O)Nc2ccnc(C)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.48
PORCN Q9H237 2/20 0.38
KDM1A O60341 2/20 0.36
SMARCA2 P51531 1/20 0.36
SMARCA4 P51532 1/20 0.36
MAOB P27338 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
SIRT2 Q8IXJ6 2/20 0.36
GPR142 Q7Z601 1/20 0.36
CYP3A4 P08684 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
FAAH O00519 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
KDR P35968 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 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
SCHEMBL2826783 0.91 GRM5 (0.49) GRM5PORCNSMARCA2SMARCA4GPR142
SCHEMBL2829074 0.88 GRM5 (0.47) GRM5PORCNSMARCA2SMARCA4GPR142
SCHEMBL2824749 0.85 MET (0.42) GRM5KDM1AMAOBRCOR1CYP3A4
SCHEMBL2829130 0.85 GRM5 (0.51) GRM5PORCNSMARCA2SMARCA4MEN1
SCHEMBL2826236 0.83 GRM5 (0.49) GRM5ROCK1
SCHEMBL2826248 0.83 SMARCA2 (0.56) GRM5PORCNSMARCA2SMARCA4NPC1
SCHEMBL2828966 0.83 GRM5 (0.40) GRM5SMARCA2SMARCA4CYP3A4ALDH1A1
SCHEMBL2829701 0.83 GRM5 (0.48) GRM5PORCNMEN1NPC1RAB9A
SCHEMBL2830980 0.83 GRM5 (0.48) GRM5MEN1KMT2AKDR
SCHEMBL2832391 0.82 GRM5 (0.38) GRM5KDM1AMAOBRCOR1SIRT2

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