SCHEMBL29007693

SCHEMBL29007693

O=C(Cl)c1c(F)cc(F)c(F)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
GRIN2D O15399 3/20 0.35
GRIN3B O60391 3/20 0.35
GRIN1 Q05586 3/20 0.35
GRIN2A Q12879 3/20 0.35
GRIN2B Q13224 3/20 0.35
GRIN2C Q14957 3/20 0.35
GRIN3A Q8TCU5 3/20 0.35
ALDH1A1 P00352 4/20 0.35
TSHR P16473 3/20 0.35
DCTPP1 Q9H773 1/20 0.33
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
ATM Q13315 1/20 0.32
TTR P02766 1/20 0.31
HIF1A Q16665 1/20 0.31
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL4674060 0.84 CA1 (0.44) CA1CA2CA4GRIN2DGRIN3B
SCHEMBL1994831 0.78 TDP1 (0.41) CA1CA2CA4GRIN2DGRIN3B
SCHEMBL9253198 0.77 ALDH1A1 (0.35) ALDH1A1TSHRCES2CES1TDP1
SCHEMBL30717143 0.76 ALDH1A1 (0.47) CA1CA2ALDH1A1TSHRTDP1
SCHEMBL9504878 0.74 CA1 (0.48) CA1CA2CA4ALDH1A1CES2
SCHEMBL1019991 0.74 CA1 (0.58) CA1CA2CA4ALDH1A1CES2
SCHEMBL3640826 0.73 TSHR (0.48) CA1CA2CA4GRIN2DGRIN3B
SCHEMBL29833722 0.73 GRIN2D (0.42) CA1CA2CA4GRIN2DGRIN3B
SCHEMBL2892253 0.73 GRIN2D (0.42) CA1CA2CA4GRIN2DGRIN3B
SCHEMBL17080253 0.73 CA1 (0.39) CA1CA2CA4GRIN2DGRIN3B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178203-A Polyimide containing amide bond and benzonorbornane structure and preparation method thereof 南昌大学 2023-05-30 CN claimed
CN-116178203-B Polyimide containing amide bond and benzonorbornane structure and preparation method thereof 南昌大学 2025-02-14 CN disclosed
CN-116178203-A Polyimide containing amide bond and benzonorbornane structure and preparation method thereof 南昌大学 2023-05-30 CN disclosed