SCHEMBL9049112

SCHEMBL9049112

CCOC(=O)CC(=O)c1c(F)cc(F)c(F)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 7/20 0.37
LMNA P02545 3/20 0.37
GAA P10253 2/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.36
MGAM O43451 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MITF O75030 2/20 0.34
GALR2 O43603 1/20 0.34
POLB P06746 1/20 0.34
HSP90AA1 P07900 1/20 0.34
HPGD P15428 1/20 0.34
XBP1 P17861 1/20 0.34
CCR6 P51684 1/20 0.34

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
SCHEMBL3189044 0.83 MAPT (0.40) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL9263418 0.82 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL9272658 0.82 LMNA (0.44) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL1349347 0.81 MGAM (0.47) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL4671913 0.81 MAPT (0.42) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL5502158 0.80 MEN1 (0.43) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL7004770 0.79 MAPT (0.37) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL7005285 0.78 MAPT (0.37) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL9046771 0.78 KDM4E (0.41) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL1348394 0.75 GAA (0.47) ALDH1A1MEN1KMT2AKDM4EMAPT

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-0700912-A1 QUINOLONE DERIVATIVE OR SALT THEREOF, AND ANTIBACTERIAL CONTAINING THE SAME WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1996-03-13 EP disclosed