SCHEMBL2828101

SCHEMBL2828101

Cc1cccc(NC(=O)Oc2nc(C)sc2Nc2cncc(C#N)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL2829117 0.86 GRM5 (0.38) GRM5SMN1; SMN2RAB9ANPC1
SCHEMBL2830286 0.85 GRM5 (0.40) GRM5SMN1; SMN2RAB9ANPC1
SCHEMBL2825999 0.85 LMNA (0.41) GRM5SMN1; SMN2RAB9ANPC1LMNA
SCHEMBL2829267 0.85 GRM5 (0.55) GRM5SMN1; SMN2RAB9ANPC1
SCHEMBL2829847 0.84 GRM5 (0.52) GRM5
SCHEMBL2829312 0.84 GRM5 (0.52) GRM5SMN1; SMN2RAB9ANPC1
SCHEMBL2824785 0.83 GRM5 (0.70) GRM5RAB9ANPC1
SCHEMBL2826277 0.83 NPC1 (0.40) GRM5SMN1; SMN2RAB9ANPC1
SCHEMBL2824577 0.80 GRM5 (0.49) GRM5SMN1; SMN2RAB9ANPC1
SCHEMBL2826867 0.78 CDK4 (0.45) GRM5SMN1; SMN2RAB9ANPC1

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