SCHEMBL9302543

SCHEMBL9302543

CN1CCN(c2c(F)c(F)c([N+](=O)[O-])c(F)c2F)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
SIRT6 Q8N6T7 5/20 0.45
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 4/20 0.42
APP P05067 1/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36
WDR5 P61964 2/20 0.36

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
SCHEMBL9301506 0.82 MAPT (0.38) MAPTSIRT6ALDH1A1CYP1A2CYP2D6
SCHEMBL8111771 0.80 MAPT (0.47) MAPTSIRT6ALDH1A1CYP1A2CYP2D6
SCHEMBL9564447 0.79 MAPT (0.52) MAPTSIRT6ALDH1A1CYP1A2CYP2D6
SCHEMBL14922295 0.78 ALDH1A1 (0.50) MAPTALDH1A1SMN1; SMN2LMNAGAA
SCHEMBL8116485 0.77 MAPT (0.41) MAPTSIRT6ALDH1A1CYP1A2CYP2D6
SCHEMBL10770620 0.74 MAPT (0.47) MAPTSIRT6ALDH1A1CYP1A2CYP2D6
SCHEMBL16532774 0.72 SIRT6 (0.54) MAPTSIRT6ALDH1A1CYP1A2CYP2D6
SCHEMBL22471423 0.72 MAPT (0.59) MAPTSIRT6ALDH1A1CYP1A2CYP2D6
SCHEMBL8097435 0.72 MAPT (0.56) MAPTSIRT6ALDH1A1CYP1A2CYP2D6
SCHEMBL8112311 0.71 MAPT (0.39) MAPTSIRT6ALDH1A1CYP1A2CYP2D6

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-5283248-A Bactericides, enzyme inhibitor of DNA-gyrase in bacteria HOFFMANN-LA ROCHE INC. (US) 1994-02-01 US disclosed