SCHEMBL6973093

SCHEMBL6973093

CC(=O)C(=O)Cc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
TDP1 Q9NUW8 3/20 0.46
ATM Q13315 1/20 0.46
PDK1 Q15118 1/20 0.44
MAPT P10636 5/20 0.42
ALDH1A1 P00352 4/20 0.41
L3MBTL1 Q9Y468 5/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
USP10 Q14694 1/20 0.40
USP7 Q93009 1/20 0.40
USP47 Q96K76 1/20 0.40
MAPK1 P28482 2/20 0.40
LMNA P02545 1/20 0.40
KCNMA1 Q12791 1/20 0.40
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE7A Q13946 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
SCHEMBL2994232 0.89 CYP1A2 (0.50) CYP1A2TDP1ATMPDK1MAPT
SCHEMBL30410464 0.89 CYP1A2 (0.50) CYP1A2TDP1ATMPDK1MAPT
SCHEMBL27707665 0.87 TDP1 (0.49) CYP1A2TDP1ATMPDK1MAPT
SCHEMBL2989578 0.84 CYP1A2 (0.69) CYP1A2TDP1ATMPDK1MAPT
SCHEMBL2989584 0.84 CYP1A2 (0.69) CYP1A2TDP1ATMPDK1MAPT
SCHEMBL31235286 0.84 CYP1A2 (0.46) CYP1A2TDP1ATMMAPTALDH1A1
SCHEMBL6973098 0.84 CYP1A2 (0.46) CYP1A2TDP1ATMMAPTALDH1A1
SCHEMBL2568261 0.83 CYP1A2 (0.48) CYP1A2TDP1ATMPDK1MAPT
SCHEMBL7594106 0.83 CYP1A2 (0.50) CYP1A2TDP1ATMPDK1MAPT
SCHEMBL27719772 0.82 PDGFRB (0.56) CYP1A2TDP1ATMMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0807631-B1 Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO CO (JP) 2003-03-12 EP disclosed
US-5981752-A Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO COMPANY, LIMITED (JP) 1999-11-09 US disclosed
US-5773618-A PYRROLOQUINOLINONE DERIVATIVES SANKYO COMPANY, LIMITED (JP) 1998-06-30 US disclosed
EP-0807631-A1 Tricyclic compounds having fungicidal activity, their preparation and their use SANKYO COMPANY LIMITED (JP) 1997-11-19 EP disclosed