SCHEMBL2829501

SCHEMBL2829501

O=C(Nc1cccc(Cl)n1)Oc1ncsc1Nc1cccnc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.45
NAMPT P43490 4/20 0.40
TSHR P16473 1/20 0.38
LMNA P02545 1/20 0.38
PTBP1 P26599 1/20 0.38
HTT P42858 1/20 0.38
KLF5 Q13887 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NOTUM Q6P988 1/20 0.38
SGMS2 Q8NHU3 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
LCK P06239 1/20 0.37
JAK2 O60674 1/20 0.37
JAK3 P52333 1/20 0.37
MEN1 O00255 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL2828918 0.89 GRM5 (0.44) GRM5NAMPTTSHRLMNAPTBP1
SCHEMBL2825843 0.89 GRM5 (0.58) GRM5NAMPTSMN1; SMN2MEN1RAB9A
SCHEMBL2827177 0.88 ALDH1A1 (0.46) GRM5LMNAALDH1A1GAAMEN1
SCHEMBL2832364 0.86 GRM5 (0.55) GRM5NAMPTRAB9A
SCHEMBL2828432 0.86 GRM5 (0.42) GRM5NAMPTNOTUM
SCHEMBL2829497 0.84 LMNA (0.49) GRM5LMNAHTTSMN1; SMN2NOTUM
SCHEMBL2826008 0.84 GRM5 (0.57) GRM5LMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL2829262 0.82 GRM5 (0.44) GRM5NAMPTLMNASMN1; SMN2
SCHEMBL2831112 0.80 IRAK4 (0.46) GRM5NAMPTLMNAHTTSMN1; SMN2
SCHEMBL2830024 0.80 ALDH1A1 (0.42) GRM5LMNASMN1; SMN2ALDH1A1GAA

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