SCHEMBL11287458

SCHEMBL11287458

COC(OC)c1cc(F)ccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.53
ATM Q13315 1/20 0.53
RAB9A P51151 1/20 0.43
HSPB1 P04792 3/20 0.41
ALDH1A1 P00352 6/20 0.40
TXNRD1 Q16881 2/20 0.39
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 5/20 0.38
PDE7A Q13946 1/20 0.37
LMNA P02545 1/20 0.36
SNCA P37840 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL12919837 0.81 TDP1 (0.58) TDP1ATMRAB9AHSPB1ALDH1A1
SCHEMBL5197881 0.80 ALDH1A1 (0.40) TDP1ALDH1A1TXNRD1CYP3A4TSHR
SCHEMBL2928829 0.80 MAPK1 (0.53) TDP1ALDH1A1TXNRD1TSHRMAPT
SCHEMBL7141803 0.80 ALDH1A1 (0.43) TDP1ALDH1A1TXNRD1CYP3A4TSHR
SCHEMBL8807535 0.79 TDP1 (0.39) TDP1ATMRAB9AHSPB1ALDH1A1
SCHEMBL2318383 0.79 TDP1 (0.60) TDP1ATMHSPB1ALDH1A1CYP3A4
SCHEMBL396110 0.78 ALDH1A1 (0.64) TDP1ATMALDH1A1MAPTLMNA
SCHEMBL633527 0.78 TDP1 (0.44) TDP1ATMHSPB1ALDH1A1MAPT
SCHEMBL23298380 0.78 TDP1 (0.55) TDP1ATMRAB9AHSPB1ALDH1A1
SCHEMBL10477064 0.78 ATM (0.55) TDP1ATMHSPB1ALDH1A1CYP3A4

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-0064658-A1 Substituted phenoxybenzaldehyde acetals, process for their preparation and their use as herbicides and plant growth regulators BAYER AG (DE) 1982-11-17 EP disclosed