SCHEMBL8097435

SCHEMBL8097435

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

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.56
ALDH1A1 P00352 3/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
SIRT6 Q8N6T7 6/20 0.50
LMNA P02545 3/20 0.50
HTR6 P50406 3/20 0.46
NPSR1 Q6W5P4 1/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.43

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
SCHEMBL9564458 0.87 MAPT (0.54) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL25230614 0.82 MAPT (0.56) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL8095201 0.82 MAPT (0.50) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL9564453 0.79 MAPT (0.48) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL3435979 0.77 MAPK1 (0.42) MAPTALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL16513957 0.77 MAPT (0.56) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL29847859 0.77 MAPT (0.56) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL22471318 0.76 MAPT (0.55) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL9564447 0.76 MAPT (0.52) MAPTALDH1A1CYP1A2CYP2D6CYP2C9
SCHEMBL24267633 0.76 SIRT6 (0.69) MAPTALDH1A1CYP1A2CYP2D6CYP2C9

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
EP-0743848-B1 2-FLUORO-6-NITROANILINES HENKEL KGAA (DE) 2000-11-08 EP disclosed
EP-0531958-A1 6-Aminoquinolones, their synthesis and their use as antibacterial agents MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1993-03-17 EP disclosed