SCHEMBL9302068

SCHEMBL9302068

CCNc1cc(N2CCN(C)CC2)c(F)cc1[N+](=O)[O-]

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.63
ALDH1A1 P00352 5/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
CYP1A2 P05177 2/20 0.63
CYP2C9 P11712 2/20 0.63
CYP2C19 P33261 2/20 0.63
CYP2D6 P10635 1/20 0.63
MAPK1 P28482 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
LMNA P02545 5/20 0.62
GAA P10253 1/20 0.60
NPSR1 Q6W5P4 1/20 0.53
HTR6 P50406 1/20 0.49
GPR174 Q9BXC1 3/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
PKM P14618 1/20 0.47

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
SCHEMBL9847721 0.86 MAPT (0.56) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL8103160 0.81 MAPT (0.62) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9301752 0.81 MAPT (0.62) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL9301599 0.81 MAPT (0.60) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL16513593 0.81 MAPT (0.76) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL29847854 0.81 MAPT (0.76) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL428455 0.78 HCAR3 (0.53) MAPTALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL3925665 0.78 MAPT (0.71) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL30679042 0.78 MAPT (0.71) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL22652238 0.78 MAPT (0.76) MAPTALDH1A1SMN1; SMN2CYP1A2CYP2C9

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