SCHEMBL2829129

SCHEMBL2829129

Cc1csc(NC(=O)Oc2nc(C)sc2Nc2cc(F)cc(F)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.41
CYP3A4 P08684 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
RAB9A P51151 6/20 0.41
NPC1 O15118 5/20 0.41
GCK P35557 4/20 0.40
MAPT P10636 2/20 0.39
SMARCA2 P51531 1/20 0.39
SMARCA4 P51532 1/20 0.39
PYGL P06737 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HPGD P15428 1/20 0.38
POLB P06746 2/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL2829064 0.90 GRM5 (0.41) GRM5CYP3A4DRD3SLC6A3RAB9A
SCHEMBL2832249 0.86 MAPT (0.37) RAB9ANPC1MAPTSMN1; SMN2MEN1
SCHEMBL2828411 0.86 ADORA1 (0.43) GRM5RAB9ANPC1GCKMAPT
SCHEMBL2825830 0.85 RAB9A (0.44) GRM5CYP3A4DRD3SLC6A3RAB9A
SCHEMBL2830060 0.84 ALDH1A1 (0.38) GRM5RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL2830798 0.84 GRM5 (0.44) GRM5CYP3A4DRD3SLC6A3RAB9A
SCHEMBL2828434 0.84 MAPT (0.50) RAB9ANPC1MAPTSMARCA2SMARCA4
SCHEMBL2828219 0.83 SMARCA2 (0.49) GRM5RAB9ANPC1GCKMAPT
SCHEMBL2831317 0.83 ALDH1A1 (0.34) GRM5MEN1KMT2A
SCHEMBL2828127 0.83 SMARCA2 (0.42) GRM5RAB9ANPC1GCKMAPT

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