SCHEMBL29905934

SCHEMBL29905934

NC(=O)C1C2C=CC(C1C(N)=O)C(C(=O)O)C2C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
CTDSP1 Q9GZU7 1/20 0.40
APEX1 P27695 1/20 0.39
GRM2 Q14416 1/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.30
ACHE P22303 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
SCHEMBL106105 0.86 POLB (0.65) POLBTDP1CTDSP1APEX1GRM2
SCHEMBL19411834 0.85 POLB (0.48) POLBTDP1CTDSP1APEX1GRM2
SCHEMBL15645819 0.83 POLB (0.62) POLBTDP1CTDSP1APEX1GRM2
Hydrochloric Acid SCHEMBL9569081 0.83 POLB (0.62) POLBTDP1CTDSP1APEX1GRM2
SCHEMBL19460585 0.74 ACHE (0.40) POLBTDP1CTDSP1APEX1GRM2
SCHEMBL15316345 0.74 ACHE (0.40) POLBTDP1CTDSP1APEX1GRM2
SCHEMBL2348382 0.72 POLB (0.56) POLBTDP1CTDSP1APEX1CYP1A2
SCHEMBL31453818 0.72 POLB (0.50) POLBTDP1CTDSP1APEX1ALDH1A1
SCHEMBL2511575 0.72 POLB (0.50) POLBTDP1CTDSP1APEX1ALDH1A1
SCHEMBL3278963 0.70 POLB (0.55) POLBTDP1CTDSP1APEX1GRM2

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-110945066-B Halogen-free sulfonate and/or sulfinate esters as flame retardants, flame retardant synergists and free radical generators in plastics 弗劳恩霍弗应用研究促进协会 2022-10-14 CN disclosed