SCHEMBL10651245

SCHEMBL10651245

CC(Sc1ccc(F)cc1[N+](=O)[O-])C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
PDE7A Q13946 2/20 0.49
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 1/20 0.47
USP10 Q14694 1/20 0.44
USP7 Q93009 1/20 0.44
USP47 Q96K76 1/20 0.44
HTT P42858 1/20 0.41
MAPT P10636 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 1/20 0.41
APEX1 P27695 1/20 0.40

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
SCHEMBL6558543 0.84 PDE7A (0.54) ALDH1A1PDE7ATDP1ATMUSP10
SCHEMBL10652731 0.84 ALDH1A1 (0.55) ALDH1A1PDE7AUSP7USP47MAPK1
SCHEMBL10651192 0.84 MAPT (0.49) ALDH1A1PDE7ATDP1ATMUSP10
SCHEMBL8941930 0.80 ALDH1A1 (0.50) ALDH1A1PDE7AHTTMAPT
SCHEMBL10651794 0.78 PDE7A (0.51) ALDH1A1PDE7AUSP7USP47MAPK1
SCHEMBL3874156 0.76 PDE7A (0.58) ALDH1A1PDE7ATDP1ATMUSP10
SCHEMBL1970520 0.76 ATM (0.46) ALDH1A1PDE7ATDP1ATMHTT
SCHEMBL1970519 0.76 ATM (0.46) ALDH1A1PDE7ATDP1ATMHTT
SCHEMBL9850838 0.75 LMNA (0.47) ALDH1A1PDE7AHTT
SCHEMBL10649323 0.75 PDE7A (0.48) ALDH1A1PDE7ATDP1ATMUSP10

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
US-4755509-A Heterocyclic aldose reductase inhibitors and methods of using them Carbipem (FR) 1988-07-05 US disclosed