SCHEMBL28497697

SCHEMBL28497697

CN(C)c1ccc2c(c1)Sc1ccccc1N2C(=O)Cl

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.65
MEN1 O00255 1/20 0.65
KMT2A Q03164 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.65
BCHE P06276 12/20 0.56
NOX1 Q9Y5S8 1/20 0.50
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.47
ATM Q13315 1/20 0.47
ACHE P22303 3/20 0.47
SNCA P37840 1/20 0.46
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL30963493 1.00 MAPK1 (0.65) MAPK1MEN1KMT2ATDP1L3MBTL1
SCHEMBL22778911 0.93 MAPK1 (0.65) MAPK1MEN1KMT2ATDP1L3MBTL1
SCHEMBL1926806 0.87 NOX1 (0.69) MAPK1MEN1KMT2ATDP1L3MBTL1
SCHEMBL396464 0.84 BCHE (0.71) MAPK1MEN1KMT2ATDP1L3MBTL1
SCHEMBL522271 0.82 BCHE (0.70) BCHENOX1ACHE
SCHEMBL30882096 0.82 BCHE (0.70) BCHENOX1ACHE
SCHEMBL30743852 0.82 BCHE (0.70) BCHENOX1ACHE
Hydrochloric Acid SCHEMBL27211953 0.80 BCHE (0.68) MAPK1BCHENOX1ACHE
SCHEMBL9560319 0.79 SNCA (0.66) MAPK1MEN1KMT2ATDP1L3MBTL1
SCHEMBL29557693 0.79 MAPK1 (0.67) MAPK1MEN1KMT2ATDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112225731-B FAP alpha specific recognition methylene blue derivative with tumor diagnosis and treatment functions and preparation method and application thereof 中山大学 2024-06-04 CN disclosed
CN-112225731-A FAP alpha specific recognition methylene blue derivative with tumor diagnosis and treatment functions and preparation method and application thereof 中山大学 2021-01-15 CN disclosed