SCHEMBL2827909

SCHEMBL2827909

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
HTT P42858 3/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 3/20 0.43
MAPK1 P28482 2/20 0.43
RAB9A P51151 4/20 0.43
NPC1 O15118 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX1 P07099 3/20 0.41
EPHX2 P34913 1/20 0.41

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
SCHEMBL2829084 0.90 HPGD (0.48) MAPTHTTLMNAMEN1KMT2A
SCHEMBL2830799 0.88 ALDH1A1 (0.46) MAPTHTTLMNAMEN1KMT2A
SCHEMBL2829161 0.83 HPGD (0.50) MAPTHTTLMNAMEN1KMT2A
SCHEMBL2830058 0.82 LMNA (0.50) MAPTHTTLMNAMEN1KMT2A
SCHEMBL2827687 0.80 MEN1 (0.49) MAPTHTTLMNAMEN1KMT2A
SCHEMBL2826665 0.80 HPGD (0.50) MAPTHTTLMNAMEN1KMT2A
SCHEMBL2828787 0.80 MAPT (0.47) MAPTHTTLMNAMEN1KMT2A
SCHEMBL2826420 0.78 LMNA (0.47) MAPTHTTLMNAMEN1KMT2A
SCHEMBL2830984 0.78 ALDH1A1 (0.50) MAPTHTTLMNAMEN1KMT2A
SCHEMBL2830232 0.78 MEN1 (0.47) MAPTHTTLMNAMEN1KMT2A

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