SCHEMBL16636652

SCHEMBL16636652

NCCN1C(=O)CSC1=S

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 8/20 0.56
GSK3B P49841 8/20 0.56
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
GAA P10253 5/20 0.54
ALDH1A1 P00352 5/20 0.46
PAX8 Q06710 1/20 0.46
RECQL P46063 4/20 0.45
MAPT P10636 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
POLB P06746 3/20 0.44
THRB P10828 2/20 0.44
HTT P42858 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
HSD17B10 Q99714 2/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP1A2 P05177 1/20 0.41

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
SCHEMBL3062340 0.87 GSK3A (0.62) GSK3AGSK3BMEN1KMT2AGAA
SCHEMBL3794356 0.85 MEN1 (0.65) GSK3AGSK3BMEN1KMT2AGAA
SCHEMBL23930054 0.83
Hydrochloric Acid SCHEMBL7533652 0.82 GSK3A (0.56) GSK3AGSK3BMEN1KMT2AGAA
SCHEMBL4579359 0.80 GSK3A (0.59) GSK3AGSK3BMEN1KMT2AGAA
SCHEMBL3138532 0.80 GSK3A (0.56) GSK3AGSK3BMEN1KMT2AGAA
SCHEMBL2360918 0.79 MAPT (0.56) GSK3AGSK3BMEN1KMT2AGAA
SCHEMBL10434854 0.78 GSK3A (0.50) GSK3AGSK3BMEN1KMT2AGAA
Hydrochloric Acid SCHEMBL16497346 0.78 MAPT (0.55) GSK3AGSK3BMEN1KMT2AGAA
SCHEMBL2788487 0.77 MEN1 (0.59) GSK3AGSK3BMEN1KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114671893-B Iron ion probe based on open-closed loop and synthesis method thereof 黄山学院 2023-04-25 CN claimed
CN-114671893-A Iron ion probe based on open-closed loop and synthetic method thereof 黄山学院 2022-06-28 CN claimed
CN-114671893-B Iron ion probe based on open-closed loop and synthesis method thereof 黄山学院 2023-04-25 CN disclosed
CN-114671893-B Iron ion probe based on open-closed loop and synthesis method thereof 黄山学院 2023-04-25 CN disclosed
CN-114671893-A Iron ion probe based on open-closed loop and synthetic method thereof 黄山学院 2022-06-28 CN disclosed
CN-114671893-A Iron ion probe based on open-closed loop and synthetic method thereof 黄山学院 2022-06-28 CN disclosed
EP-3055312-A1 NOVEL LIGAND FOR DETECTION OF CHROMIUM (III) AND A PROCESS FOR THE PREPARATION THEREOF Council of Scientific and Industrial Research (IN) 2016-08-17 EP disclosed
WO-2015052731-A1 NOVEL LIGAND FOR DETECTION OF CHROMIUM (III) AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-04-16 WO disclosed