SCHEMBL8104325

SCHEMBL8104325

O=[N+]([O-])c1ccc(N2CCOCC2)c(F)c1N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.59
MAPT P10636 14/20 0.54
ALDH1A1 P00352 8/20 0.54
POLB P06746 3/20 0.53
HTT P42858 2/20 0.53
KDM4E B2RXH2 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP2C9 P11712 3/20 0.52
CYP1A2 P05177 2/20 0.52
CYP2C19 P33261 2/20 0.52
NPSR1 Q6W5P4 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
LMNA P02545 3/20 0.51
MAPK1 P28482 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PKM P14618 2/20 0.49
GAA P10253 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
SCHEMBL519289 0.88 CTSB (0.62) CTSBMAPTALDH1A1POLBHTT
SCHEMBL8095201 0.87 MAPT (0.50) CTSBMAPTALDH1A1POLBHTT
SCHEMBL8103840 0.86 ALDH1A1 (0.70) CTSBMAPTALDH1A1POLBHTT
SCHEMBL16943039 0.81 CTSB (0.57) CTSBMAPTALDH1A1POLBHTT
SCHEMBL3984049 0.78 CYP1A2 (0.54) CTSBMAPTALDH1A1POLBHTT
SCHEMBL3154116 0.78 MAPT (0.64) CTSBMAPTALDH1A1HTTCYP2C9
SCHEMBL3718871 0.78 MAPT (0.63) CTSBMAPTALDH1A1HTTKDM4E
SCHEMBL1424205 0.75 ALDH1A1 (0.50) CTSBMAPTALDH1A1POLBHTT
SCHEMBL30206335 0.75 MAPT (0.57) CTSBMAPTALDH1A1HTTKDM4E
SCHEMBL6511388 0.75 MAPT (0.57) CTSBMAPTALDH1A1HTTKDM4E

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-0743848-B1 2-FLUORO-6-NITROANILINES HENKEL KGAA (DE) 2000-11-08 EP disclosed