SCHEMBL5770810

SCHEMBL5770810

COC(=O)COc1cc(F)c(-c2ccc(C(F)(F)F)n(C)c2=O)cc1[N+](=O)[O-]

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 4/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
PDK2 Q15119 1/20 0.34
AR P10275 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PKM P14618 1/20 0.33
PTGS2 P35354 1/20 0.33
HTT P42858 1/20 0.33
GPBAR1 Q8TDU6 1/20 0.33

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
SCHEMBL5773760 0.79 KDM4E (0.38) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL5777107 0.76 CYP3A4 (0.37) SMN1; SMN2ALDH1A1MAPTHPGDLMNA
SCHEMBL30662465 0.75 MAPT (0.47) SMN1; SMN2ALDH1A1MAPTLMNAMEN1
SCHEMBL9369168 0.75 MAPT (0.47) SMN1; SMN2ALDH1A1MAPTLMNAMEN1
SCHEMBL8186024 0.74 PLA2G4B (0.36) SMN1; SMN2ALDH1A1MAPTHPGDNPC1
SCHEMBL5771977 0.74 MEN1 (0.37) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL9598873 0.74 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1MAPTLMNAMEN1
SCHEMBL23830693 0.72 HMGCR (0.44) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A
SCHEMBL10595171 0.71 MAPT (0.42) SMN1; SMN2ALDH1A1MAPTLMNAMEN1
SCHEMBL16063490 0.71 KDM4E (0.40) SMN1; SMN2ALDH1A1MAPTNPC1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885885-B1 PYRIDONE DERIVATIVES AND HERBICIDES KUMIAI CHEMICAL INDUSTRY CO (JP) 2006-01-04 EP disclosed
US-6472348-B1 Pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2002-10-29 US disclosed
US-6265349-B1 Pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD (JP) 2001-07-24 US disclosed
US-6048823-A Pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2000-04-11 US disclosed
EP-0885885-A1 PYRIDONE DERIVATIVES AND HERBICIDES KumaiI Chemical Industry Co., Ltd. (JP) 1998-12-23 EP disclosed