SCHEMBL9564453

SCHEMBL9564453

CN1CCN(c2c([N+](=O)[O-])ccc(NC3CC3)c2F)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.48
MAPK1 P28482 2/20 0.48
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP1A2 P05177 2/20 0.46
HTT P42858 1/20 0.46
ALDH1A1 P00352 3/20 0.45
GAA P10253 2/20 0.45
HTR6 P50406 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
SIRT6 Q8N6T7 5/20 0.43
HCAR3 P49019 1/20 0.42
GLA P06280 1/20 0.41
CYP2D6 P10635 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX12 P18054 1/20 0.40
DCTPP1 Q9H773 1/20 0.40

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
SCHEMBL9564463 0.86 MAPT (0.49) MAPTMAPK1CYP2C9CYP2C19CYP1A2
SCHEMBL8097435 0.79 MAPT (0.56) MAPTMAPK1CYP2C9CYP2C19CYP1A2
SCHEMBL9301752 0.76 MAPT (0.62) MAPTMAPK1CYP2C9CYP2C19CYP1A2
SCHEMBL9301506 0.72 MAPT (0.38) MAPTMAPK1CYP2C9CYP2C19CYP1A2
SCHEMBL9564458 0.72 MAPT (0.54) MAPTMAPK1CYP2C9CYP2C19CYP1A2
SCHEMBL10570306 0.71 MAPT (0.51) MAPTMAPK1CYP2C9CYP2C19CYP1A2
SCHEMBL8112311 0.71 MAPT (0.39) MAPTCYP2C9CYP2C19CYP1A2ALDH1A1
SCHEMBL25230614 0.71 MAPT (0.56) MAPTCYP2C9CYP2C19CYP1A2ALDH1A1
SCHEMBL13547430 0.70 MAPK1 (0.66) MAPTMAPK1CYP2C9CYP2C19CYP1A2
SCHEMBL1595672 0.69 MAPT (0.65) MAPTMAPK1ALDH1A1GAAHCAR3

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