SCHEMBL2824749

SCHEMBL2824749

COCc1cccc(NC(=O)Oc2nc(C)sc2Nc2cc(F)cc(F)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MET P08581 3/20 0.42
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM1A O60341 2/20 0.38
MAOB P27338 1/20 0.38
RCOR1 Q9UKL0 1/20 0.38
MGLL Q99685 2/20 0.37
FAAH O00519 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 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
GRM5 P41594 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
SCHEMBL2832391 0.91 GRM5 (0.38) METMAPTL3MBTL1KDM1AMAOB
SCHEMBL2830226 0.87 MET (0.39) METMAPTL3MBTL1
SCHEMBL2829461 0.85 GRM5 (0.48) KDM1AMAOBRCOR1FAAHALDH1A1
SCHEMBL2828971 0.80 NPC1 (0.37) KDM1AMAOBRCOR1ALDH1A1MAPK1
SCHEMBL2826716 0.79 GRM5 (0.50) MAPTPOLBMEN1NPC1RAB9A
SCHEMBL2832249 0.79 MAPT (0.37) MAPTALDH1A1MAPK1MEN1NPC1
SCHEMBL2830759 0.79 SMARCA2 (0.43) POLBNPC1RAB9AKMT2AGRM5
SCHEMBL2826556 0.78 GRM5 (0.39) MAPTL3MBTL1POLBMEN1NPC1
SCHEMBL2830402 0.77 MAPT (0.45) MAPTL3MBTL1ALDH1A1MAPK1POLB
SCHEMBL2829130 0.77 GRM5 (0.51) MAPTL3MBTL1POLBMEN1NPC1

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