SCHEMBL8522884

SCHEMBL8522884

O=[N+]([O-])c1c[c]ccc1-c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 3/20 0.41
ATM Q13315 1/20 0.41
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGS2 P35354 4/20 0.36
FBP1 P09467 1/20 0.35
HSPB1 P04792 2/20 0.35
GCGR P47871 1/20 0.35
MAPK14 Q16539 1/20 0.35
HTT P42858 1/20 0.34
RAB9A P51151 1/20 0.34
TTR P02766 1/20 0.34
PTGS1 P23219 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL27707583 0.87 TDP1 (0.41) TDP1ALDH1A1ATMMAPTMEN1
SCHEMBL6806454 0.86 TDP1 (0.46) TDP1ALDH1A1MAPTMEN1POLB
SCHEMBL10511759 0.83 MAPT (0.41) TDP1ALDH1A1MAPTMEN1POLB
SCHEMBL27370328 0.83 TDP1 (0.41) TDP1ALDH1A1MAPTMEN1POLB
SCHEMBL3540428 0.83 ALDH1A1 (0.61) TDP1ALDH1A1MEN1POLBKMT2A
SCHEMBL6800906 0.82 TDP1 (0.38) TDP1ALDH1A1MAPTMEN1POLB
SCHEMBL27995417 0.81 FBP1 (0.41) TDP1ALDH1A1ATMMAPTMEN1
SCHEMBL15379986 0.75 TDP1 (0.55) TDP1ALDH1A1ATMMAPTMEN1
SCHEMBL2331432 0.75 TDP1 (0.71) TDP1ALDH1A1ATMMAPTPOLB
SCHEMBL29563324 0.75 TDP1 (0.55) TDP1ALDH1A1ATMMAPTMEN1

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-5859042-A ALOPECIA, ACNE, DISEASES OF THE PROSTATE GLANDS ONO PHARMACEUTICAL CO., LTD. (JP) 1999-01-12 US disclosed