SCHEMBL23924915

SCHEMBL23924915

Cc1ccc(N2C(=O)C=CC2=O)c([N+](=O)[O-])c1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.48
CCR6 P51684 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
MAPT P10636 2/20 0.48
PKM P14618 2/20 0.48
HSP90AA1 P07900 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NLRP1 Q9C000 1/20 0.48
MGLL Q99685 5/20 0.40
HPN P05981 1/20 0.35
TLR9 Q9NR96 2/20 0.34
TSHR P16473 4/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP3A4 P08684 1/20 0.33
G6PD P11413 1/20 0.32
FAAH O00519 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL29990063 1.00 ALDH1A1 (0.48) ALDH1A1CCR6TDP1MAPTPKM
SCHEMBL7101972 0.77 ALDH1A1 (0.54) ALDH1A1TDP1TSHRCYP3A4
SCHEMBL30387275 0.77 ATM (0.39) ALDH1A1MAPTPKMHPGDHTT
SCHEMBL25430081 0.77 ATM (0.39) ALDH1A1MAPTPKMHPGDHTT
SCHEMBL25963718 0.77 ATM (0.39) ALDH1A1MAPTPKMHPGDHTT
SCHEMBL23925174 0.71 TSHR (0.49) ALDH1A1TDP1MAPTHTTTSHR
SCHEMBL31184578 0.70 TDP1 (0.46) ALDH1A1TDP1MAPTHPGDHTT
SCHEMBL23926410 0.69 ALDH1A1 (0.57) ALDH1A1CCR6TDP1MAPTPKM
SCHEMBL29392129 0.69 ALDH1A1 (0.57) ALDH1A1CCR6TDP1MAPTPKM
SCHEMBL29510567 0.66 ALDH1A1 (0.66) ALDH1A1CCR6TDP1MAPTPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227657-A1 FLUORESCENT MACROMOLECULE AND USES THEREOF QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2023-07-20 US disclosed
US-20230227657-A1 FLUORESCENT MACROMOLECULE AND USES THEREOF QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2023-07-20 US disclosed
EP-4136126-A1 FLUORESCENT MACROMOLECULE AND USES THEREOF Queensland University Of Technology (AU) 2023-02-22 EP disclosed
CN-115427462-A Fluorescent macromolecules and uses thereof 昆士兰科技大学 2022-12-02 CN disclosed
WO-2021207793-A1 FLUORESCENT MACROMOLECULE AND USES THEREOF QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2021-10-21 WO disclosed