SCHEMBL2826591

SCHEMBL2826591

Cc1cccc(NC(=O)Oc2nc(C)sc2Nc2ccccn2)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.46
RAB9A P51151 4/20 0.43
JAK2 O60674 2/20 0.43
JAK3 P52333 1/20 0.42
NPC1 O15118 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GBA1 P04062 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPK10 P53779 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAPT P10636 1/20 0.41
LCK P06239 1/20 0.40
NTRK1 P04629 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
SCHEMBL2826109 0.90 GRM5 (0.47) GRM5RAB9ANPC1KMT2AMEN1
SCHEMBL2830253 0.89 GRM5 (0.51) GRM5RAB9AJAK2NPC1KMT2A
SCHEMBL2827599 0.86 GRM5 (0.46) GRM5RAB9ANPC1KMT2ANTRK1
SCHEMBL2830506 0.86 GRM5 (0.48) GRM5RAB9AJAK2NPC1KMT2A
SCHEMBL2828477 0.84 NPC1 (0.44) RAB9ANPC1KMT2AMEN1ALDH1A1
SCHEMBL2824785 0.82 GRM5 (0.70) GRM5RAB9AJAK2JAK3NPC1
SCHEMBL2829267 0.82 GRM5 (0.55) GRM5RAB9ANPC1KMT2AMEN1
SCHEMBL2826581 0.81 GRM5 (0.50) GRM5RAB9AJAK2NPC1KMT2A
SCHEMBL2829478 0.81 SMARCA2 (0.53) GRM5RAB9AJAK2JAK3NPC1
SCHEMBL2827914 0.79 GRM5 (0.47) GRM5RAB9AJAK2NPC1KMT2A

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