SCHEMBL2826529

SCHEMBL2826529

Cc1cc(Nc2sc(C)nc2OC(=O)Nc2ccnc(C)n2)n(C)n1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
SORT1 Q99523 4/20 0.35
RIPK1 Q13546 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GRM5 P41594 3/20 0.33
MAP3K5 Q99683 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
CSF1R P07333 1/20 0.31
PDGFRB P09619 1/20 0.31
PIK3C3 Q8NEB9 2/20 0.31
MAPK14 Q16539 1/20 0.31
MAPK1 P28482 1/20 0.31
ATR Q13535 1/20 0.31

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
SCHEMBL2832743 0.86 SORT1 (0.34) SORT1RIPK1KMT2AGRM5KDM4E
SCHEMBL2826030 0.82 PIK3CA (0.37) SMN1; SMN2SORT1RIPK1KDM4EHTT
SCHEMBL2829067 0.80 CTSK (0.35) SORT1RIPK1MEN1KMT2AGRM5
SCHEMBL2826649 0.80 HTR2C (0.36) SMN1; SMN2SORT1RIPK1GRM5PIK3C3
SCHEMBL2830051 0.79 RAB9A (0.40) SMN1; SMN2MEN1KMT2AGRM5HTT
SCHEMBL2828980 0.79 SORT1 (0.41) SMN1; SMN2SORT1PIK3C3
SCHEMBL2829325 0.79 JAK2 (0.41) SORT1MEN1KMT2APIK3C3
SCHEMBL2833176 0.79 SORT1 (0.41) SORT1GRM5PIK3C3
SCHEMBL2829035 0.79 AURKB (0.37) GRM5
SCHEMBL2830257 0.78 GRM5 (0.50) SORT1KMT2AGRM5HTTPIK3C3

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