SCHEMBL8769251

SCHEMBL8769251

COC(=O)C(C(=O)OC)c1cc(F)c([N+](=O)[O-])cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.54
PKM P14618 1/20 0.40
MAPT P10636 4/20 0.36
MAPK1 P28482 2/20 0.36
LMNA P02545 2/20 0.36
RAF1 P04049 1/20 0.36
HPGD P15428 1/20 0.36
GFER P55789 1/20 0.36
PAX8 Q06710 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ESPL1 Q14674 1/20 0.35
MEN1 O00255 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL7744963 0.89 ALDH1A1 (0.42) ALDH1A1PKMMAPTMAPK1LMNA
SCHEMBL2589882 0.83 ALDH1A1 (0.54) ALDH1A1PKMMAPTMAPK1LMNA
SCHEMBL15577645 0.83 ALDH1A1 (0.54) ALDH1A1PKMMAPTMAPK1LMNA
SCHEMBL7752175 0.83 MAPT (0.38) ALDH1A1PKMMAPTMAPK1LMNA
SCHEMBL7744995 0.83 ALDH1A1 (0.39) ALDH1A1MAPTMAPK1LMNARAF1
SCHEMBL7745002 0.82 ATM (0.39) ALDH1A1MAPTMAPK1LMNAESPL1
SCHEMBL7744997 0.82 ATM (0.39) ALDH1A1MAPTMAPK1LMNAESPL1
SCHEMBL13465753 0.82 ALDH1A1 (0.43) ALDH1A1MAPTMAPK1LMNARAF1
SCHEMBL13268975 0.82 ALDH1A1 (0.43) ALDH1A1MAPTMAPK1LMNARAF1
SCHEMBL7750957 0.78 ALDH1A1 (0.42) ALDH1A1PKMMAPTMAPK1LMNA

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-0610384-B1 PROCESS FOR THE PREPARATION OF FLUORINATED BENZOIC ACIDS ABBOTT LAB (US) 1997-09-03 EP disclosed