SCHEMBL2829084

SCHEMBL2829084

CC(C)(C)Nc1scnc1OC(=O)Nc1cccc(Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
MAPT P10636 8/20 0.47
MEN1 O00255 7/20 0.47
KMT2A Q03164 7/20 0.47
LMNA P02545 5/20 0.47
HTT P42858 3/20 0.47
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
ALDH1A1 P00352 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
GRM4 Q14833 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL2827909 0.90 MAPT (0.47) HPGDALOX15MAPTMEN1KMT2A
SCHEMBL2829161 0.88 HPGD (0.50) HPGDALOX15MAPTMEN1KMT2A
SCHEMBL2830984 0.87 ALDH1A1 (0.50) HPGDALOX15MAPTMEN1KMT2A
SCHEMBL2830058 0.87 LMNA (0.50) HPGDALOX15MAPTMEN1KMT2A
SCHEMBL2824772 0.86 KMT2A (0.45) HPGDALOX15MAPTMEN1KMT2A
SCHEMBL2828100 0.86 NPC1 (0.46) HPGDMAPTMEN1KMT2ALMNA
SCHEMBL2827687 0.85 MEN1 (0.49) HPGDALOX15MAPTMEN1KMT2A
SCHEMBL2826420 0.83 LMNA (0.47) HPGDALOX15MAPTMEN1KMT2A
SCHEMBL2826665 0.82 HPGD (0.50) HPGDALOX15MAPTMEN1KMT2A
SCHEMBL2826660 0.82 LMNA (0.46) HPGDALOX15MAPTMEN1KMT2A

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