SCHEMBL6464868

SCHEMBL6464868

CC(C)(C)OC(=O)NCc1nc(CI)co1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
NAMPT P43490 2/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNA1C Q13936 1/20 0.37
CYP1A2 P05177 1/20 0.36
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
BRD4 O60885 1/20 0.36
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL3798888 0.88 KDM4A (0.40) KDM4AL3MBTL1LMNAKDM4ENAMPT
SCHEMBL2557942 0.87 HTT (0.49) LMNAKDM4EHTTNPSR1MAPT
SCHEMBL6468245 0.82 KDM4A (0.42) KDM4AL3MBTL1LMNAKDM4ENAMPT
SCHEMBL3796522 0.81 CA1 (0.39) KDM4AL3MBTL1LMNAKDM4ENAMPT
SCHEMBL3586130 0.80 KDM4A (0.40) KDM4AL3MBTL1LMNAKDM4ENAMPT
SCHEMBL3583656 0.78 KDM4A (0.40) KDM4AL3MBTL1LMNAKDM4ENAMPT
SCHEMBL24387623 0.77 MAPKAPK2 (0.42) KDM4AL3MBTL1LMNAKDM4EHTT
SCHEMBL21129147 0.75 HDAC1 (0.39) KDM4AL3MBTL1LMNAKDM4ENAMPT
SCHEMBL3508704 0.75 KMT2A (0.48) L3MBTL1LMNACA1CA2MAPT
SCHEMBL2552259 0.75 HTT (0.50) LMNAKDM4EHTTNPSR1CYP1A2

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-2012054510-A1 OXADIAZOLE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2012-04-26 WO disclosed