SCHEMBL6988337

SCHEMBL6988337

Cc1nc(-c2cccc(NC3(C)CCCCC3)c2)no1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
TP53 P04637 5/20 0.48
MAPT P10636 5/20 0.48
POLB P06746 3/20 0.48
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
LMNA P02545 2/20 0.40
NPC1 O15118 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SYK P43405 1/20 0.40
MAPK14 Q16539 1/20 0.40
RHOA P61586 1/20 0.39
CHRNA7 P36544 1/20 0.39

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
SCHEMBL6992992 0.99 L3MBTL1 (0.57) L3MBTL1TP53MAPTPOLBS1PR1
SCHEMBL7078173 0.82 MAPT (0.52) L3MBTL1TP53MAPTPOLBLMNA
SCHEMBL7083964 0.81 MAPT (0.53) L3MBTL1TP53MAPTPOLBLMNA
SCHEMBL8311929 0.77 L3MBTL1 (0.72) L3MBTL1TP53MAPTPOLBCASP3
SCHEMBL7076779 0.75 MAPT (0.52) L3MBTL1TP53MAPTPOLBLMNA
SCHEMBL7081126 0.75 MAPT (0.51) L3MBTL1TP53MAPTPOLBLMNA
SCHEMBL13130238 0.74 L3MBTL1 (1.00) L3MBTL1TP53MAPTPOLBCASP3
SCHEMBL7080917 0.74 MAPT (0.53) L3MBTL1TP53MAPTPOLBLMNA
SCHEMBL6992939 0.72 MAPT (0.48) L3MBTL1TP53MAPTPOLBLMNA
SCHEMBL19287155 0.72 L3MBTL1 (0.64) L3MBTL1TP53MAPTPOLBLMNA

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