SCHEMBL2827599

SCHEMBL2827599

Cc1cccc(NC(=O)Oc2nc(C)sc2Nc2cccnc2C)n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.46
KMT2A Q03164 2/20 0.41
NTRK1 P04629 1/20 0.41
RAB9A P51151 2/20 0.40
ASIC3 Q9UHC3 1/20 0.39
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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 0.87 GRM5 (0.47) GRM5KMT2ARAB9AASIC3NPC1
SCHEMBL2826591 0.86 GRM5 (0.46) GRM5KMT2ANTRK1RAB9ANPC1
SCHEMBL2830506 0.83 GRM5 (0.48) GRM5KMT2ARAB9ANPC1TP53
SCHEMBL2830193 0.83 GRM5 (0.51) GRM5NTRK1
SCHEMBL2826581 0.83 GRM5 (0.50) GRM5KMT2ARAB9ANPC1
SCHEMBL2830131 0.83 GRM5 (0.49) GRM5KMT2ANTRK1RAB9ANPC1
SCHEMBL2830253 0.82 GRM5 (0.51) GRM5KMT2ARAB9ANPC1
SCHEMBL2824785 0.82 GRM5 (0.70) GRM5KMT2ARAB9ANPC1
SCHEMBL2830047 0.80 SMARCA2 (0.41) GRM5NTRK1RAB9ANPC1
SCHEMBL2829267 0.79 GRM5 (0.55) GRM5KMT2ARAB9ANPC1TP53

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