SCHEMBL28045348

SCHEMBL28045348

O=[N+]([O-])c1ccc(-c2cccc(F)c2)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.52
ATM Q13315 1/20 0.52
TAAR1 Q96RJ0 3/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
ESR2 Q92731 1/20 0.47
FBP1 P09467 3/20 0.46
CYP3A4 P08684 1/20 0.44
TSHR P16473 1/20 0.44
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
HSPB1 P04792 1/20 0.43
CASP6 P55212 1/20 0.41
PTPN1 P18031 1/20 0.41
EIF4E P06730 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
SCHEMBL6313832 0.88 ALDH1A1 (0.53) TDP1ATMTAAR1MAPTMEN1
SCHEMBL721310 0.85 TDP1 (0.71) TDP1ATMTAAR1MAPTMEN1
SCHEMBL29655008 0.85 TDP1 (0.71) TDP1ATMTAAR1MAPTMEN1
SCHEMBL28106852 0.85 SMN1; SMN2 (0.49) TDP1ATMTAAR1MAPTMEN1
SCHEMBL3976788 0.82 TDP1 (0.64) TDP1ATMMAPTMEN1POLB
SCHEMBL5195739 0.81 DCLRE1B (0.56) TDP1ESR2FBP1TSHRCRHBP
SCHEMBL1663325 0.81 CRHBP (0.63) TDP1MAPTMEN1POLBKMT2A
SCHEMBL12812871 0.80 TAAR1 (0.53) TAAR1MAPTMEN1POLBKMT2A
SCHEMBL14786422 0.79 TDP1 (0.45) TDP1ATMTAAR1MAPTMEN1
Benzene SCHEMBL27678346 0.79 TDP1 (0.67) TDP1ATMMAPTCYP3A4TSHR

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
CN-105189454-A Phenyl derivative ONO PHARMACEUTICAL CO 2015-12-23 CN disclosed