SCHEMBL27916992

SCHEMBL27916992

Nc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 8/20 1.00
KMT2A Q03164 5/20 1.00
MEN1 O00255 4/20 1.00
SLC40A1 Q9NP59 9/20 0.76
GLO1 Q04760 8/20 0.76
NFKBIA P25963 3/20 0.76
AGTR1 P30556 2/20 0.76
G6PD P11413 1/20 0.76
METAP2 P50579 1/20 0.76
METAP1 P53582 1/20 0.76
PAX8 Q06710 1/20 0.76
ATM Q13315 1/20 0.76
ALDH1A1 P00352 2/20 0.75
OPRK1 P41145 2/20 0.75
HTT P42858 2/20 0.75
NPSR1 Q6W5P4 2/20 0.75
MITF O75030 1/20 0.75
S1PR4 O95977 1/20 0.75
LMNA P02545 1/20 0.75
MAPT P10636 1/20 0.75

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
SCHEMBL29799662 1.00 TDP1 (1.00) TDP1KMT2AMEN1SLC40A1GLO1
SCHEMBL442367 0.87 SLC40A1 (1.00) TDP1KMT2AMEN1SLC40A1GLO1
SCHEMBL30925586 0.86 SLC40A1 (1.00) TDP1KMT2AMEN1SLC40A1GLO1
SCHEMBL13638616 0.86 SLC40A1 (0.76) TDP1KMT2AMEN1SLC40A1GLO1
SCHEMBL4471796 0.86 TDP1 (1.00) TDP1KMT2AMEN1SLC40A1GLO1
SCHEMBL6978005 0.86 GLO1 (1.00) TDP1KMT2AMEN1SLC40A1GLO1
SCHEMBL3825367 0.86 TDP1 (1.00) TDP1KMT2AMEN1SLC40A1GLO1
SCHEMBL6981081 0.86 SLC40A1 (1.00) TDP1KMT2AMEN1SLC40A1GLO1
SCHEMBL13485950 0.86 SLC40A1 (0.80) TDP1KMT2AMEN1SLC40A1GLO1
SCHEMBL7746129 0.85 SLC40A1 (0.97) TDP1KMT2AMEN1SLC40A1GLO1

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
CN-114949258-B Preparation method and application of ROS-responsive autofluorescence metal coordination multifunctional cluster modified gene vector 南开大学 2024-06-07 CN disclosed
CN-114949258-A Preparation method and application of ROS (reactive oxygen species) -responsive autofluorescent metal coordination multifunctional cluster modified gene vector 南开大学 2022-08-30 CN disclosed
CN-103055327-B A kind of for fluorescence imaging with the bifunctional contrast agents of nuclear magnetic resonance FUJIAN INSTITUTE OF RESEARCH ON THE STRUCTURE OF MATTER, CHINESE ACADEMY OF SCIENCES (CN) 2016-12-14 CN disclosed
CN-103055327-A Bifunctional contrast agent for fluorescence imaging and magnetic resonance imaging FUJIAN MATTER STRUCTURE 2013-04-24 CN disclosed
CN-103055327-A Bifunctional contrast agent for fluorescence imaging and magnetic resonance imaging FUJIAN MATTER STRUCTURE 2013-04-24 CN disclosed