SCHEMBL9564447

SCHEMBL9564447

CN1CCN(c2c(F)c(F)cc(F)c2[N+](=O)[O-])CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.52
ALDH1A1 P00352 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 4/20 0.47
SIRT6 Q8N6T7 5/20 0.43
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
WDR5 P61964 2/20 0.37
APP P05067 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37

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
SCHEMBL14922287 0.80 HRH4 (0.44) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL16532774 0.80 SIRT6 (0.54) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL9302543 0.79 MAPT (0.48) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL22471423 0.76 MAPT (0.59) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL16532772 0.76 MAPT (0.55) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL8097435 0.76 MAPT (0.56) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL8111771 0.74 MAPT (0.47) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL30168467 0.72 MAPT (0.74) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL26185855 0.72 MAPT (0.74) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL8075629 0.72 MAPT (0.78) MAPTALDH1A1CYP1A2CYP2D6CYP2C9

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
EP-0531958-A1 6-Aminoquinolones, their synthesis and their use as antibacterial agents MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1993-03-17 EP disclosed