SCHEMBL9303493

SCHEMBL9303493

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

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
GAA P10253 1/20 0.60
MAPT P10636 11/20 0.57
ALDH1A1 P00352 6/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
CYP2D6 P10635 1/20 0.57
GPR174 Q9BXC1 7/20 0.49
NPSR1 Q6W5P4 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL9301332 0.90 MAPT (0.64) LMNAGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL4365700 0.77 MAPT (0.66) LMNAGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL16513593 0.76 MAPT (0.76) LMNAGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL29847854 0.76 MAPT (0.76) LMNAGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL9301104 0.76 ALDH1A1 (0.43) GAAMAPTALDH1A1SMN1; SMN2MEN1
SCHEMBL30679042 0.76 MAPT (0.71) LMNAGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL8103160 0.74 MAPT (0.62) LMNAGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL9427619 0.74 ESPL1 (0.40) LMNAGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL23293826 0.74 MAPT (0.67) LMNAGAAMAPTALDH1A1SMN1; SMN2
SCHEMBL22652238 0.73 MAPT (0.76) LMNAGAAMAPTALDH1A1SMN1; SMN2

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