SCHEMBL8095201

SCHEMBL8095201

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.50
ALDH1A1 P00352 4/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
CTSB P07858 1/20 0.50
PKM P14618 1/20 0.50
NPSR1 Q6W5P4 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HTT P42858 3/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
RAC1 P63000 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 2/20 0.44
MAPK1 P28482 2/20 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
SCHEMBL8104325 0.87 CTSB (0.59) MAPTALDH1A1CYP1A2CYP2C9CYP3A4
SCHEMBL1424205 0.82 ALDH1A1 (0.50) MAPTALDH1A1CYP1A2CYP2C9CYP3A4
SCHEMBL8097435 0.82 MAPT (0.56) MAPTALDH1A1CYP1A2CYP2C9CYP2D6
SCHEMBL3984049 0.82 CYP1A2 (0.54) MAPTALDH1A1CYP1A2CYP2C9CYP3A4
SCHEMBL30206335 0.79 MAPT (0.57) MAPTALDH1A1CYP1A2CYP2C9CYP3A4
SCHEMBL6511388 0.79 MAPT (0.57) MAPTALDH1A1CYP1A2CYP2C9CYP3A4
SCHEMBL519289 0.77 CTSB (0.62) MAPTALDH1A1CYP1A2CYP2C9CYP3A4
SCHEMBL4140342 0.77 MAPT (0.67) MAPTALDH1A1CYP1A2CYP2C9CYP3A4
SCHEMBL10473548 0.77 MAPT (0.54) MAPTALDH1A1CYP1A2CYP2C9CYP3A4
SCHEMBL2589998 0.76 MAPT (0.69) MAPTALDH1A1CYP1A2CYP2C9CYP3A4

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