SCHEMBL2830232

SCHEMBL2830232

O=C(Nc1cccc(Cl)c1)Oc1ncsc1NCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.47
KMT2A Q03164 6/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
LMNA P02545 6/20 0.47
HTT P42858 3/20 0.47
MAPT P10636 6/20 0.46
HPGD P15428 2/20 0.46
PLA2G1B P04054 1/20 0.46
MAOB P27338 1/20 0.46
ATG4B Q9Y4P1 1/20 0.46
PPIA P62937 2/20 0.44
KDM4E B2RXH2 2/20 0.44
VNN1 O95497 1/20 0.44
KDR P35968 1/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43

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
SCHEMBL2827687 0.85 MEN1 (0.49) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL2830058 0.83 LMNA (0.50) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL2826665 0.83 HPGD (0.50) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL2829161 0.82 HPGD (0.50) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL2828787 0.81 MAPT (0.47) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL2829084 0.80 HPGD (0.48) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL2826420 0.79 LMNA (0.47) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL2826660 0.78 LMNA (0.46) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL2828993 0.78 MAPT (0.51) MEN1KMT2ANPC1RAB9ALMNA
SCHEMBL2827909 0.78 MAPT (0.47) MEN1KMT2ANPC1RAB9ALMNA

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