SCHEMBL2825843

SCHEMBL2825843

Cc1cccc(NC(=O)Oc2ncsc2Nc2cccnc2)n1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.58
NAMPT P43490 2/20 0.44
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
MEN1 O00255 1/20 0.41
GBA1 P04062 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2829501 0.89 GRM5 (0.45) GRM5NAMPTRAB9AMEN1KMT2A
SCHEMBL2830797 0.88 RAB9A (0.51) GRM5RAB9ANPC1MEN1GBA1
SCHEMBL2828918 0.88 GRM5 (0.44) GRM5NAMPTNPC1SMN1; SMN2
SCHEMBL2832364 0.87 GRM5 (0.55) GRM5NAMPTRAB9ANPC1
SCHEMBL2829262 0.86 GRM5 (0.44) GRM5NAMPTSMN1; SMN2
SCHEMBL2824785 0.86 GRM5 (0.70) GRM5RAB9ANPC1MEN1GBA1
SCHEMBL2828432 0.85 GRM5 (0.42) GRM5NAMPT
SCHEMBL2826737 0.84 RAB9A (0.56) GRM5RAB9ANPC1MEN1GBA1
SCHEMBL2824997 0.84 GRM5 (0.48) GRM5NAMPTRAB9ANPC1SMN1; SMN2
SCHEMBL2833180 0.83 RAB9A (0.54) GRM5RAB9ANPC1MEN1GBA1

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