SCHEMBL2828787

SCHEMBL2828787

COCCCNc1scnc1OC(=O)Nc1cccc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 3/20 0.44
LMNA P02545 2/20 0.44
TSHR P16473 2/20 0.44
MAPK1 P28482 2/20 0.44
RAB9A P51151 5/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
NPC1 O15118 4/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 2/20 0.42
ALOX15 P16050 1/20 0.42
EPHX2 P34913 2/20 0.41
ATM Q13315 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
SCHEMBL2826544 0.89 ALDH1A1 (0.46) MAPTALDH1A1L3MBTL1HTTLMNA
SCHEMBL2828557 0.88 KDM4E (0.43) MAPTALDH1A1LMNAMAPK1RAB9A
SCHEMBL2826665 0.82 HPGD (0.50) MAPTALDH1A1L3MBTL1HTTLMNA
SCHEMBL2829161 0.82 HPGD (0.50) MAPTALDH1A1L3MBTL1HTTLMNA
SCHEMBL2830058 0.81 LMNA (0.50) MAPTALDH1A1L3MBTL1HTTLMNA
SCHEMBL2830232 0.81 MEN1 (0.47) MAPTALDH1A1L3MBTL1HTTLMNA
SCHEMBL2829084 0.80 HPGD (0.48) MAPTALDH1A1L3MBTL1HTTLMNA
SCHEMBL2827909 0.80 MAPT (0.47) MAPTL3MBTL1HTTLMNATSHR
SCHEMBL2827687 0.79 MEN1 (0.49) MAPTALDH1A1L3MBTL1HTTLMNA
SCHEMBL2826420 0.77 LMNA (0.47) MAPTALDH1A1L3MBTL1HTTLMNA

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