SCHEMBL23925174

SCHEMBL23925174

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.49
CYP3A4 P08684 4/20 0.49
ALDH1A1 P00352 7/20 0.46
TDP1 Q9NUW8 6/20 0.46
RECQL P46063 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
USP2 O75604 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
ACHE P22303 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35

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
Dioxane SCHEMBL23925107 0.91 TSHR (0.41) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL7101972 0.85 ALDH1A1 (0.54) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL938653 0.79 TSHR (0.57) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL31184578 0.77 TDP1 (0.46) TSHRCYP3A4ALDH1A1TDP1MEN1
SCHEMBL377032 0.77 TSHR (0.55) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL2056645 0.77 TSHR (0.55) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL20571586 0.74 TSHR (0.52) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL28659258 0.74 TSHR (0.52) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL5704996 0.74 TSHR (0.52) TSHRCYP3A4ALDH1A1TDP1RECQL
SCHEMBL2371812 0.74 TSHR (0.52) TSHRCYP3A4ALDH1A1TDP1RECQL

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 6 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
WO-2021207793-A1 FLUORESCENT MACROMOLECULE AND USES THEREOF QUEENSLAND UNIVERSITY OF TECHNOLOGY (AU) 2021-10-21 WO disclosed