SCHEMBL46329

SCHEMBL46329

COc1cc(C)cnc1N1CCCC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 1/20 0.40
MAP4K1 Q92918 1/20 0.40
HSD17B10 Q99714 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
CASP6 P55212 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PIP4K2A P48426 1/20 0.38
HTT P42858 2/20 0.37
PDE10A Q9Y233 1/20 0.37
LRRK2 Q5S007 1/20 0.37
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPC1 O15118 1/20 0.37
P2RX7 Q99572 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
LMNA P02545 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
SCHEMBL11116356 0.82 HSD17B10 (0.46) SMN1; SMN2HSD17B10L3MBTL1CYP11B2LMNA
SCHEMBL46303 0.77 HSD17B10 (0.46) SMN1; SMN2MAPTHSD17B10L3MBTL1CYP11B1
SCHEMBL24542664 0.75 SMN1; SMN2 (0.41) SMN1; SMN2MAPTHSD17B10ATML3MBTL1
SCHEMBL29682836 0.75 SMN1; SMN2 (0.41) SMN1; SMN2MAPTHSD17B10ATML3MBTL1
SCHEMBL29682805 0.74 ATM (0.41) SMN1; SMN2MAPTHSD17B10ATML3MBTL1
SCHEMBL24542645 0.74 ATM (0.41) SMN1; SMN2MAPTHSD17B10ATML3MBTL1
SCHEMBL31739850 0.72 POLB (0.37) SMN1; SMN2MAPTMAP4K1HSD17B10ATM
SCHEMBL12457541 0.72 L3MBTL1 (0.46) SMN1; SMN2HSD17B10L3MBTL1PIP4K2AHTT
SCHEMBL24441089 0.70 CYP11B1 (0.35) SMN1; SMN2CYP11B1CYP11B2TDP1HTT
SCHEMBL7806296 0.69 MAPT (0.54) SMN1; SMN2MAPTATMHTTHIF1A

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
WO-2011151436-A2 NOVEL COMPOUNDS, METHOD FOR USE THEM AND PHARMACEUTICAL COMPOSITION CONTAINING THEM EUROSCREEN S.A. (BE) 2011-12-08 WO disclosed