SCHEMBL9301599

SCHEMBL9301599

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

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.60
ALDH1A1 P00352 5/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MEN1 O00255 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
KMT2A Q03164 1/20 0.58
GPR174 Q9BXC1 9/20 0.57
LMNA P02545 3/20 0.51
GAA P10253 1/20 0.51
POLB P06746 1/20 0.45

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
SCHEMBL30258598 0.89 MAPT (0.57) MAPTALDH1A1SMN1; SMN2MEN1CYP1A2
SCHEMBL22716822 0.89 MAPT (0.57) MAPTALDH1A1SMN1; SMN2MEN1CYP1A2
SCHEMBL9847721 0.86 MAPT (0.56) MAPTALDH1A1SMN1; SMN2MEN1CYP1A2
SCHEMBL9303323 0.86 MAPT (0.54) MAPTALDH1A1SMN1; SMN2MEN1CYP1A2
SCHEMBL2976815 0.85 MAPT (0.51) MAPTALDH1A1SMN1; SMN2MEN1CYP1A2
SCHEMBL20061844 0.85 DCTPP1 (0.47) MAPTALDH1A1SMN1; SMN2MEN1CYP1A2
SCHEMBL30258446 0.85 MAPT (0.63) MAPTALDH1A1SMN1; SMN2MEN1CYP1A2
SCHEMBL521293 0.85 MAPT (0.63) MAPTALDH1A1SMN1; SMN2MEN1CYP1A2
SCHEMBL22724915 0.83 MAPT (0.52) MAPTALDH1A1SMN1; SMN2MEN1CYP1A2
SCHEMBL2982396 0.83 MAPT (0.49) MAPTALDH1A1SMN1; SMN2MEN1CYP1A2

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