SCHEMBL3265779

SCHEMBL3265779

CC(C)C(C)(NC(=O)c1nc(-c2ccc([N+](=O)[O-])cc2)no1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 3/20 0.44
MAPK1 P28482 1/20 0.44
MAPT P10636 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HDAC2 Q92769 4/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC1 Q13547 3/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.40
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CASP3 P42574 1/20 0.39
POLB P06746 2/20 0.39
TP53 P04637 1/20 0.39
HSP90AA1 P07900 1/20 0.38
HSP90AB1 P08238 1/20 0.38

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
SCHEMBL3265094 0.84 KDM4E (0.52) KDM4EGAALMNAMAPTPOLB
SCHEMBL3265449 0.79 KDM4E (0.44) KDM4EGAALMNAMAPTNPC1
SCHEMBL2300388 0.75 LMNA (0.45) KDM4EGAALMNAMAPK1MAPT
SCHEMBL3265775 0.75 LMNA (0.45) KDM4EGAALMNAMAPK1MAPT
SCHEMBL3266083 0.73 CSGALNACT1 (0.51) KDM4ELMNAMAPTNPC1RAB9A
SCHEMBL27912050 0.73 LMNA (0.56) LMNAMAPK1MAPTNPC1RAB9A
SCHEMBL5328889 0.71 MAPT (0.61) LMNAMAPK1MAPTNPC1RAB9A
SCHEMBL2296702 0.69 HTT (0.62) GAALMNAMAPTNPC1RAB9A
SCHEMBL1053128 0.69 MGLL (0.49) GAALMNAMAPTNPC1RAB9A
SCHEMBL3832953 0.67 HDAC2 (0.59) LMNAMAPK1MAPTNPC1RAB9A

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-2010023609-A1 OXAZOLE, OXADIAZOLE AND THIAZOLE DERIVATIVES AS DIACYLGLYCEROL ACYLTRANFERASE INHIBITORS PIRAMAL LIFE SCIENCES LIMITED (IN) 2010-03-04 WO disclosed