SCHEMBL6991506

SCHEMBL6991506

Cc1nc(-c2cccc(NC3(OC(=O)O)CCSCC3)c2)no1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
TP53 P04637 5/20 0.48
POLB P06746 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.45
LMNA P02545 3/20 0.42
HTT P42858 3/20 0.42
MAPK1 P28482 2/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
HAVCR2 Q8TDQ0 4/20 0.41
KIFC1 Q9BW19 1/20 0.39
SYK P43405 1/20 0.38
HPGD P15428 1/20 0.38
ADORA2A P29274 1/20 0.37
PLK1 P53350 1/20 0.37

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
SCHEMBL6992939 0.89 MAPT (0.48) MAPTTP53POLBL3MBTL1LMNA
SCHEMBL7080917 0.85 MAPT (0.53) MAPTTP53POLBL3MBTL1LMNA
SCHEMBL6991634 0.81 MAPT (0.42) MAPTTP53POLBLMNAHTT
SCHEMBL6988389 0.80 MAPT (0.41) MAPTTP53POLBL3MBTL1LMNA
SCHEMBL7083964 0.77 MAPT (0.53) MAPTTP53POLBL3MBTL1LMNA
SCHEMBL7078173 0.76 MAPT (0.52) MAPTTP53POLBL3MBTL1LMNA
SCHEMBL7081126 0.75 MAPT (0.51) MAPTTP53POLBL3MBTL1LMNA
SCHEMBL7079022 0.74 MAPT (0.46) MAPTTP53POLBLMNAHTT
SCHEMBL7076779 0.73 MAPT (0.52) MAPTTP53POLBL3MBTL1LMNA
SCHEMBL6992992 0.72 L3MBTL1 (0.57) MAPTTP53POLBL3MBTL1LMNA

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
EP-1303482-A2 N-SUBSTITUTED-1-AMINO-1,1-DIALKYLCARBOXYLIC ACID DERIVATIVES MERCK PATENT GmbH (DE) 2003-04-23 EP disclosed
WO-2002008177-A2 N-SUBSTITUTED-1-AMINO-1,1-DIALKYLCARBOXYLIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2002-01-31 WO disclosed