SCHEMBL2826581

SCHEMBL2826581

Cc1cccc(NC(=O)Oc2nc(C)sc2Nc2cnccc2C)n1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.50
RAB9A P51151 3/20 0.40
NPC1 O15118 1/20 0.38
JAK2 O60674 1/20 0.38
GBA1 P04062 1/20 0.37
MAPT P10636 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KMT2A Q03164 1/20 0.36

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
SCHEMBL2824785 0.85 GRM5 (0.70) GRM5RAB9ANPC1JAK2GBA1
SCHEMBL2830253 0.85 GRM5 (0.51) GRM5RAB9ANPC1JAK2KMT2A
SCHEMBL2827599 0.83 GRM5 (0.46) GRM5RAB9ANPC1KMT2A
SCHEMBL2829267 0.82 GRM5 (0.55) GRM5RAB9ANPC1GBA1MAPT
SCHEMBL2830123 0.82 GRM5 (0.51) GRM5JAK2
SCHEMBL2826109 0.82 GRM5 (0.47) GRM5RAB9ANPC1GBA1MAPT
SCHEMBL2824920 0.82 ABL1 (0.45) GRM5RAB9ANPC1MAPTKMT2A
SCHEMBL2826591 0.81 GRM5 (0.46) GRM5RAB9ANPC1JAK2GBA1
SCHEMBL2830413 0.81 GRM5 (0.51) GRM5MAPT
SCHEMBL2830506 0.81 GRM5 (0.48) GRM5RAB9ANPC1JAK2GBA1

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