SCHEMBL13869013

SCHEMBL13869013

CC(C)(C)C(=O)C1(Cc2ccccc2)Cc2ccccc2N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BACE1 P56817 1/20 0.34
TACR3 P29371 1/20 0.32
MAPK1 P28482 1/20 0.32
EPHX2 P34913 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
MMP8 P22894 1/20 0.32
ATM Q13315 1/20 0.32
POLB P06746 2/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR3C2 P08235 1/20 0.31
GAA P10253 1/20 0.31
CYP46A1 Q9Y6A2 1/20 0.31

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
SCHEMBL13886265 0.83 BRD4 (0.39) BRD4L3MBTL1LMNAHTTNPSR1
SCHEMBL14664041 0.72 SLC6A2 (0.51) HTT
SCHEMBL29192390 0.72 BRD4 (0.38) BRD4L3MBTL1BACE1MAPTNPC1
SCHEMBL29192329 0.70 BRD4 (0.40) BRD4MAPK1EPHX2SIRT2ATM
SCHEMBL6830859 0.67 LMNA (0.40) L3MBTL1LMNAHTTNPSR1BACE1
SCHEMBL4592268 0.67 ALOX15 (0.38) BRD4L3MBTL1POLBMAPTNPC1
SCHEMBL28739869 0.67 L3MBTL1 (0.50) L3MBTL1LMNAHTTNPSR1BACE1
SCHEMBL16669626 0.67 BRD4 (0.48) BRD4LMNAHTTMAPK1MAPT
SCHEMBL6773172 0.65 BRD4 (0.42) BRD4HTTMAPK1POLBMAPT
SCHEMBL5837737 0.65 BRD4 (0.42) BRD4HTTMAPK1POLBMAPT

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
US-7524883-B2 Eponemycin and epoxomicin analogs and uses thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-04-28 US disclosed