SCHEMBL9301332

SCHEMBL9301332

CCN(C(C)=O)c1cc(N2CCN(C(C)=O)CC2)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.64
ALDH1A1 P00352 5/20 0.64
GPR174 Q9BXC1 7/20 0.62
SMN1; SMN2 Q16637 3/20 0.54
LMNA P02545 2/20 0.53
GAA P10253 1/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C9 P11712 2/20 0.53
CYP2C19 P33261 2/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
CYP2D6 P10635 1/20 0.45
HTT P42858 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL9303493 0.90 LMNA (0.60) MAPTALDH1A1GPR174SMN1; SMN2LMNA
SCHEMBL3317049 0.81 MAPT (0.79) MAPTALDH1A1GPR174SMN1; SMN2LMNA
SCHEMBL3317301 0.77 MAPT (0.81) MAPTALDH1A1GPR174SMN1; SMN2LMNA
SCHEMBL22621220 0.77 GPR174 (1.00) MAPTALDH1A1GPR174SMN1; SMN2LMNA
SCHEMBL3315404 0.77 MAPT (0.72) MAPTALDH1A1GPR174SMN1; SMN2LMNA
SCHEMBL9301104 0.75 ALDH1A1 (0.43) MAPTALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL22621283 0.74 GPR174 (1.00) MAPTALDH1A1GPR174LMNAGAA
SCHEMBL31739514 0.74 MAPT (0.67) MAPTALDH1A1GPR174SMN1; SMN2LMNA
SCHEMBL9302533 0.73 GPR174 (0.67) MAPTALDH1A1GPR174SMN1; SMN2LMNA
SCHEMBL9427619 0.73 ESPL1 (0.40) MAPTALDH1A1GPR174SMN1; SMN2LMNA

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 2 patents. 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
EP-0433648-A1 Substituted pyrimidobenzimidazole derivatives F. HOFFMANN-LA ROCHE AG (CH) 1991-06-26 EP disclosed