SCHEMBL27596183

SCHEMBL27596183

CCc1ccccc1C(=O)c1cnc(NCCCOC(=O)c2cccs2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.39
CCNB2 O95067 1/20 0.39
CCNE2 O96020 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
ABL1 P00519 1/20 0.39
TSHR P16473 1/20 0.38
GLA P06280 1/20 0.38
BRCA1 P38398 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL27596193 0.90 PKM (0.44) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL27596182 0.88 MAPK13 (0.43) ALDH1A1LMNAABL1GLABRCA1
SCHEMBL27596328 0.88 MAPK13 (0.51) ALDH1A1MAPTABL1
SCHEMBL27596191 0.87 HTT (0.44) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL27596165 0.83 TOP2A (0.40) L3MBTL1NPC1RAB9A
SCHEMBL27614965 0.81 ALDH1A1 (0.44) ALDH1A1LMNAMAPTKDM4EMEN1
SCHEMBL27596169 0.80 MAPK14 (0.38)
SCHEMBL5564247 0.80 MAPK14 (0.43) NPC1RAB9A
SCHEMBL27615016 0.77 MAPK14 (0.44) NPC1RAB9A
SCHEMBL5568870 0.76 POLB (0.44) L3MBTL1HTTTSHRNPC1RAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100363362-C Thiazole derivatives as NPY receptor antagonists HOFFMANN LA ROCHE (CH) 2008-01-23 CN disclosed
CN-1639158-A Thiazole derivatives as NPY receptor antagonists HOFFMANN LA ROCHE (CH) 2005-07-13 CN disclosed